(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-phenylphenyl)propanamide

C21H27N3O2 — CID 9049661

IUPAC(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-phenylphenyl)propanamide
SMILESCC(C)NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-15(2)22-20(25)14-24(4)16(3)21(26)23-19-13-9-8-12-18(19)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3,(H,22,25)(H,23,26)/t16-/m0/s1
InChIKeyXVJLSISMXHOXSU-INIZCTEOSA-N
MW353.47 g/mol
LogP3.14
Rot. Bonds7

About (2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-phenylphenyl)propanamide

(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-phenylphenyl)propanamide (PubChem CID 9049661) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-phenylphenyl)propanamide
PubChem CID9049661
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-phenylphenyl)propanamide
SMILESCC(C)NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-15(2)22-20(25)14-24(4)16(3)21(26)23-19-13-9-8-12-18(19)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3,(H,22,25)(H,23,26)/t16-/m0/s1
InChIKeyXVJLSISMXHOXSU-INIZCTEOSA-N
XLogP3.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-phenylphenyl)propanamide
CID 8514606
(2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(2-phenylphenyl)propanamide
CID 9102051
N-(2-bromo-4-methylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 24507143
(2R)-N-methyl-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 9049639
(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1S)-1-phenylbutyl]propanamide
CID 8914313
(2S)-2-acetamido-N-(2-phenylphenyl)propanamide
CID 95234854
(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8912935
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)propanamide
CID 112769408
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 9049502
2-methylsulfanyl-N-(2-phenylphenyl)propanamide
CID 43077390
(2R,3R)-2,3-dihydroxy-N,N-dimethyl-N'-(2-phenylphenyl)butanediamide
CID 67578365
(2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide
CID 8912953

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-phenylphenyl)propanamide?
The IUPAC name of (2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-phenylphenyl)propanamide (CID 9049661) is (2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-phenylphenyl)propanamide?
The canonical SMILES for (2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-phenylphenyl)propanamide is CC(C)NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of (2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-phenylphenyl)propanamide?
The InChIKey is XVJLSISMXHOXSU-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(2)22-20(25)14-24(4)16(3)21(26)23-19-13-9-8-12-18(19)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3,(H,22,25)(H,23,26)/t16-/m0/s1.
What are the key properties of (2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-phenylphenyl)propanamide?
(2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-phenylphenyl)propanamide has a molecular weight of 353.47 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 9049661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).