N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide

C21H23N3O — CID 96998431

IUPACN-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide
SMILESCN(CC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1-c1ccccc1
InChIInChI=1S/C21H23N3O/c1-21(15-22,17-12-13-17)23-20(25)14-24(2)19-11-7-6-10-18(19)16-8-4-3-5-9-16/h3-11,17H,12-14H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyBMZCGZYIJUKBPE-OAQYLSRUSA-N
MW333.44 g/mol
LogP3.60
Rot. Bonds6

About N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide

N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide (PubChem CID 96998431) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide
PubChem CID96998431
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide
SMILESCN(CC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1-c1ccccc1
InChIInChI=1S/C21H23N3O/c1-21(15-22,17-12-13-17)23-20(25)14-24(2)19-11-7-6-10-18(19)16-8-4-3-5-9-16/h3-11,17H,12-14H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyBMZCGZYIJUKBPE-OAQYLSRUSA-N
XLogP3.60
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide
CID 95044031
N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide
CID 111489142
N-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide
CID 111859993
N-(1-cyano-1-cyclopropylethyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 110924096
2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7531377
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide
CID 94498516
2-[[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 8004820
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 9140600
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191540
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7750033
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350192
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetamide
CID 124832179

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide?
The IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide (CID 96998431) is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide.
What is the SMILES notation for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide?
The canonical SMILES for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide is CN(CC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide?
The InChIKey is BMZCGZYIJUKBPE-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H23N3O/c1-21(15-22,17-12-13-17)23-20(25)14-24(2)19-11-7-6-10-18(19)16-8-4-3-5-9-16/h3-11,17H,12-14H2,1-2H3,(H,23,25)/t21-/m1/s1.
What are the key properties of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide?
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide has a molecular weight of 333.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(N-methyl-2-phenylanilino)acetamide is sourced from PubChem (CID 96998431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).