(2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide

C22H27N3O2 — CID 8645044

IUPAC(2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
SMILESCCNC(=O)[C@@H](C)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H27N3O2/c1-4-23-22(26)15(2)24-13-19(16-9-11-17(27-3)12-10-16)20-14-25-21-8-6-5-7-18(20)21/h5-12,14-15,19,24-25H,4,13H2,1-3H3,(H,23,26)/t15-,19-/m1/s1
InChIKeyAJMKVPNYCBPDJP-DNVCBOLYSA-N
MW365.48 g/mol
LogP3.42
Rot. Bonds8

About (2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide

(2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide (PubChem CID 8645044) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
PubChem CID8645044
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
SMILESCCNC(=O)[C@@H](C)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H27N3O2/c1-4-23-22(26)15(2)24-13-19(16-9-11-17(27-3)12-10-16)20-14-25-21-8-6-5-7-18(20)21/h5-12,14-15,19,24-25H,4,13H2,1-3H3,(H,23,26)/t15-,19-/m1/s1
InChIKeyAJMKVPNYCBPDJP-DNVCBOLYSA-N
XLogP3.42
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide with MolForge

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Related Compounds

(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 8645036
(2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 8644968
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
CID 119266811
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
CID 60544253
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
CID 43007542
(2S)-1-(2,3-dihydroindol-1-yl)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propan-1-one
CID 40988675
(2S)-N-[2-(1H-indol-3-yl)-2-phenylethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24599842
(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propan-1-one
CID 8644960
2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 43061749
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide?
The IUPAC name of (2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide (CID 8645044) is (2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide?
The canonical SMILES for (2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide is CCNC(=O)[C@@H](C)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of (2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide?
The InChIKey is AJMKVPNYCBPDJP-DNVCBOLYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-23-22(26)15(2)24-13-19(16-9-11-17(27-3)12-10-16)20-14-25-21-8-6-5-7-18(20)21/h5-12,14-15,19,24-25H,4,13H2,1-3H3,(H,23,26)/t15-,19-/m1/s1.
What are the key properties of (2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide?
(2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide has a molecular weight of 365.48 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide is sourced from PubChem (CID 8645044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).