(2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide

C20H21N3O2 — CID 8927212

IUPAC(2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C20H21N3O2/c1-14(2)19(23-18(24)12-15-7-4-3-5-8-15)20(25)22-17-10-6-9-16(11-17)13-21/h3-11,14,19H,12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKeyOHCPDGLNZWVAHU-IBGZPJMESA-N
MW335.41 g/mol
LogP2.88
Rot. Bonds6

About (2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide

(2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 8927212) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
PubChem CID8927212
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C20H21N3O2/c1-14(2)19(23-18(24)12-15-7-4-3-5-8-15)20(25)22-17-10-6-9-16(11-17)13-21/h3-11,14,19H,12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKeyOHCPDGLNZWVAHU-IBGZPJMESA-N
XLogP2.88
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[1-(3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 78769011
(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 9038834
methyl 3-[2-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]ethynyl]benzoate
CID 55549663
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 55416154
N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610497
N-[(2R)-1-(3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 40742445
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500
N-(3-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187553
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 7533554
(2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide
CID 96526958
3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide
CID 55766078

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of (2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide (CID 8927212) is (2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for (2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for (2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide is CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of (2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is OHCPDGLNZWVAHU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14(2)19(23-18(24)12-15-7-4-3-5-8-15)20(25)22-17-10-6-9-16(11-17)13-21/h3-11,14,19H,12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1.
What are the key properties of (2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
(2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 335.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 8927212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).