(2S)-2-amino-3-(3-cyano-4-phenylphenyl)-N-propan-2-ylpropanamide

C19H21N3O — CID 126622341

IUPAC(2S)-2-amino-3-(3-cyano-4-phenylphenyl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)c(C#N)c1
InChIInChI=1S/C19H21N3O/c1-13(2)22-19(23)18(21)11-14-8-9-17(16(10-14)12-20)15-6-4-3-5-7-15/h3-10,13,18H,11,21H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyGKSVEOIJZZJKGV-SFHVURJKSA-N
MW307.40 g/mol
LogP2.62
Rot. Bonds5

About (2S)-2-amino-3-(3-cyano-4-phenylphenyl)-N-propan-2-ylpropanamide

(2S)-2-amino-3-(3-cyano-4-phenylphenyl)-N-propan-2-ylpropanamide (PubChem CID 126622341) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-cyano-4-phenylphenyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-cyano-4-phenylphenyl)-N-propan-2-ylpropanamide
PubChem CID126622341
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name(2S)-2-amino-3-(3-cyano-4-phenylphenyl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)c(C#N)c1
InChIInChI=1S/C19H21N3O/c1-13(2)22-19(23)18(21)11-14-8-9-17(16(10-14)12-20)15-6-4-3-5-7-15/h3-10,13,18H,11,21H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyGKSVEOIJZZJKGV-SFHVURJKSA-N
XLogP2.62
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-[4-phenyl-3-(trifluoromethyl)phenyl]-N-propan-2-ylpropanamide
CID 126622264
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
2-amino-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-3-(4-phenylphenyl)propanamide
CID 135306568
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid
CID 18223062
[(1R)-1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]boronic acid
CID 74765736
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 7016090
2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18223252
methyl (2S)-2-amino-3-(3-cyano-4-hydroxyphenyl)propanoate
CID 171238526
2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide
CID 61258574
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80750444

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-cyano-4-phenylphenyl)-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-amino-3-(3-cyano-4-phenylphenyl)-N-propan-2-ylpropanamide (CID 126622341) is (2S)-2-amino-3-(3-cyano-4-phenylphenyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-(3-cyano-4-phenylphenyl)-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-amino-3-(3-cyano-4-phenylphenyl)-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)c(C#N)c1.
What is the InChIKey of (2S)-2-amino-3-(3-cyano-4-phenylphenyl)-N-propan-2-ylpropanamide?
The InChIKey is GKSVEOIJZZJKGV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13(2)22-19(23)18(21)11-14-8-9-17(16(10-14)12-20)15-6-4-3-5-7-15/h3-10,13,18H,11,21H2,1-2H3,(H,22,23)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-cyano-4-phenylphenyl)-N-propan-2-ylpropanamide?
(2S)-2-amino-3-(3-cyano-4-phenylphenyl)-N-propan-2-ylpropanamide has a molecular weight of 307.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-cyano-4-phenylphenyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 126622341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).