(2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide

C20H22N4O2 — CID 8645365

IUPAC(2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide
SMILESC[C@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)NC(N)=O
InChIInChI=1S/C20H22N4O2/c1-13(19(25)24-20(21)26)22-11-16(14-7-3-2-4-8-14)17-12-23-18-10-6-5-9-15(17)18/h2-10,12-13,16,22-23H,11H2,1H3,(H3,21,24,25,26)/t13-,16+/m0/s1
InChIKeyCJDDUQXSRQZKEI-XJKSGUPXSA-N
MW350.42 g/mol
LogP2.47
Rot. Bonds6

About (2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide

(2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide (PubChem CID 8645365) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide
PubChem CID8645365
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide
SMILESC[C@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)NC(N)=O
InChIInChI=1S/C20H22N4O2/c1-13(19(25)24-20(21)26)22-11-16(14-7-3-2-4-8-14)17-12-23-18-10-6-5-9-15(17)18/h2-10,12-13,16,22-23H,11H2,1H3,(H3,21,24,25,26)/t13-,16+/m0/s1
InChIKeyCJDDUQXSRQZKEI-XJKSGUPXSA-N
XLogP2.47
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide
CID 8645145
(2R)-2-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-N-(3-methylphenyl)propanamide
CID 8645306
(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 8645036
(2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 8645044
(2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 8644968
(2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide
CID 8645148
(2S)-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-N-propan-2-ylpropanamide
CID 8645196
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
2-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 55351244
methyl (2S)-2-[[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]propanoate
CID 8645460
(2S)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-N-(2-thiophen-2-ylethyl)propanamide
CID 8645798
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide?
The IUPAC name of (2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide (CID 8645365) is (2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide is C[C@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)NC(N)=O.
What is the InChIKey of (2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide?
The InChIKey is CJDDUQXSRQZKEI-XJKSGUPXSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13(19(25)24-20(21)26)22-11-16(14-7-3-2-4-8-14)17-12-23-18-10-6-5-9-15(17)18/h2-10,12-13,16,22-23H,11H2,1H3,(H3,21,24,25,26)/t13-,16+/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide?
(2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide has a molecular weight of 350.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide is sourced from PubChem (CID 8645365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).