(2R)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone

C160H156N12O12 — CID 158373662

IUPAC(2R)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
SMILESCC(=O)c1ccc([C@@H](C)CN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.CC(=O)c1ccc([C@@H](C)CN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.CC(=O)c1ccc([C@H](C)CN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.CC(=O)c1ccc([C@H](C)CN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.COc1cccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c12.COc1cccc2c(C(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c12
InChIInChI=1S/4C27H26N2O2.2C26H26N2O2/c4*1-18(20-12-14-21(15-13-20)19(2)30)16-29-26(22-8-4-3-5-9-22)27(31)24-17-28-25-11-7-6-10-23(24)25;2*1-18-11-13-19(14-12-18)15-16-27-24(20-7-4-3-5-8-20)26(29)22-17-28-25-21(22)9-6-10-23(25)30-2/h4*3-15,17-18,26,28-29H,16H2,1-2H3;2*3-14,17,24,27-28H,15-16H2,1-2H3/t2*18-,26+;2*18-,26-;2*24-/m101010/s1
InChIKeyGUXVNHLZGGYACN-MCEGVISESA-N
MW2439.08 g/mol
LogP33.23
Rot. Bonds48

About (2R)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone

(2R)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone (PubChem CID 158373662) has the molecular formula C160H156N12O12 and a molecular weight of 2439.08 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
PubChem CID158373662
Molecular FormulaC160H156N12O12
Molecular Weight2439.08 g/mol
Exact Mass2437.20
IUPAC Name(2R)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone
SMILESCC(=O)c1ccc([C@@H](C)CN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.CC(=O)c1ccc([C@@H](C)CN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.CC(=O)c1ccc([C@H](C)CN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.CC(=O)c1ccc([C@H](C)CN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.COc1cccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c12.COc1cccc2c(C(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c12
InChIInChI=1S/4C27H26N2O2.2C26H26N2O2/c4*1-18(20-12-14-21(15-13-20)19(2)30)16-29-26(22-8-4-3-5-9-22)27(31)24-17-28-25-11-7-6-10-23(24)25;2*1-18-11-13-19(14-12-18)15-16-27-24(20-7-4-3-5-8-20)26(29)22-17-28-25-21(22)9-6-10-23(25)30-2/h4*3-15,17-18,26,28-29H,16H2,1-2H3;2*3-14,17,24,27-28H,15-16H2,1-2H3/t2*18-,26+;2*18-,26-;2*24-/m101010/s1
InChIKeyGUXVNHLZGGYACN-MCEGVISESA-N
XLogP33.23
TPSA356.08 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds48
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002439.08
LogP ≤ 533.23
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Analyze (2R)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone with MolForge

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Related Compounds

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CID 162669729
(2S)-2-[[4-[[(2S)-2-[[4-[4-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]butylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 163201779
(2S)-2-[[4-[[(2S)-2-[[4-[8-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]octylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 163201786
(2S)-2-[[4-[[(2S)-2-[[4-[10-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]decylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 163202169
(2S)-2-[[4-[[(2S)-2-[[4-[6-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]hexylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 163202403
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone?
The IUPAC name of (2R)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone (CID 158373662) is (2R)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone.
What is the SMILES notation for (2R)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone?
The canonical SMILES for (2R)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone is CC(=O)c1ccc([C@@H](C)CN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.CC(=O)c1ccc([C@@H](C)CN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.CC(=O)c1ccc([C@H](C)CN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.CC(=O)c1ccc([C@H](C)CN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1.COc1cccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c12.COc1cccc2c(C(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c12.
What is the InChIKey of (2R)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone?
The InChIKey is GUXVNHLZGGYACN-MCEGVISESA-N. The full InChI is InChI=1S/4C27H26N2O2.2C26H26N2O2/c4*1-18(20-12-14-21(15-13-20)19(2)30)16-29-26(22-8-4-3-5-9-22)27(31)24-17-28-25-11-7-6-10-23(24)25;2*1-18-11-13-19(14-12-18)15-16-27-24(20-7-4-3-5-8-20)26(29)22-17-28-25-21(22)9-6-10-23(25)30-2/h4*3-15,17-18,26,28-29H,16H2,1-2H3;2*3-14,17,24,27-28H,15-16H2,1-2H3/t2*18-,26+;2*18-,26-;2*24-/m101010/s1.
What are the key properties of (2R)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone?
(2R)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone has a molecular weight of 2439.08 g/mol, XLogP of 33.23, 48 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2R)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2S)-2-[[(2S)-2-(4-acetylphenyl)propyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone;(2R)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(7-methoxy-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone is sourced from PubChem (CID 158373662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).