N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide

C23H21N3O — CID 9392611

IUPACN-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
SMILESCc1ccc([C@@H](NCC(=O)Nc2ccccc2C#N)c2ccccc2)cc1
InChIInChI=1S/C23H21N3O/c1-17-11-13-19(14-12-17)23(18-7-3-2-4-8-18)25-16-22(27)26-21-10-6-5-9-20(21)15-24/h2-14,23,25H,16H2,1H3,(H,26,27)/t23-/m0/s1
InChIKeyFHHXCWUKHUKWQX-QHCPKHFHSA-N
MW355.44 g/mol
LogP4.18
Rot. Bonds6

About N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide

N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide (PubChem CID 9392611) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
PubChem CID9392611
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
SMILESCc1ccc([C@@H](NCC(=O)Nc2ccccc2C#N)c2ccccc2)cc1
InChIInChI=1S/C23H21N3O/c1-17-11-13-19(14-12-17)23(18-7-3-2-4-8-18)25-16-22(27)26-21-10-6-5-9-20(21)15-24/h2-14,23,25H,16H2,1H3,(H,26,27)/t23-/m0/s1
InChIKeyFHHXCWUKHUKWQX-QHCPKHFHSA-N
XLogP4.18
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393472
N-(2-acetylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393487
(2S)-2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]propanoic acid
CID 83194298
2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9393079
N-(2-methoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392871
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
N-(2-chloro-4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392747
N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8922928
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
N-(2-cyanophenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133316
N-(2,5-difluorophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393367
N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393022

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide (CID 9392611) is N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide is Cc1ccc([C@@H](NCC(=O)Nc2ccccc2C#N)c2ccccc2)cc1.
What is the InChIKey of N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The InChIKey is FHHXCWUKHUKWQX-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H21N3O/c1-17-11-13-19(14-12-17)23(18-7-3-2-4-8-18)25-16-22(27)26-21-10-6-5-9-20(21)15-24/h2-14,23,25H,16H2,1H3,(H,26,27)/t23-/m0/s1.
What are the key properties of N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide has a molecular weight of 355.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide is sourced from PubChem (CID 9392611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).