2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide

C21H23N3O — CID 7531377

IUPAC2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
SMILESC[C@@](C#N)(NC(=O)CNC(c1ccccc1)c1ccccc1)C1CC1
InChIInChI=1S/C21H23N3O/c1-21(15-22,18-12-13-18)24-19(25)14-23-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,20,23H,12-14H2,1H3,(H,24,25)/t21-/m0/s1
InChIKeyITXGBHQXKMPUCC-NRFANRHFSA-N
MW333.44 g/mol
LogP3.17
Rot. Bonds7

About 2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide

2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide (PubChem CID 7531377) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide.

Molecular Properties

Compound Name2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
PubChem CID7531377
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
SMILESC[C@@](C#N)(NC(=O)CNC(c1ccccc1)c1ccccc1)C1CC1
InChIInChI=1S/C21H23N3O/c1-21(15-22,18-12-13-18)24-19(25)14-23-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,20,23H,12-14H2,1H3,(H,24,25)/t21-/m0/s1
InChIKeyITXGBHQXKMPUCC-NRFANRHFSA-N
XLogP3.17
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide
CID 94498516
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7750033
2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 37471767
2-(2-benzylsulfanylanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 42921588
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755557
N-(1-cyano-1-cyclopropylethyl)-2-[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide
CID 47070117
N-(1-cyano-1-cyclopropylethyl)-2-[(3-hydroxy-1-phenylpropyl)-methylamino]acetamide
CID 111489142
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051298
N-(1-cyano-1-cyclopropylethyl)-2-(3,5-dichloroanilino)acetamide
CID 47109692
N-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 86789657
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191540
N-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide
CID 43015950

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide?
The IUPAC name of 2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide (CID 7531377) is 2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide.
What is the SMILES notation for 2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide?
The canonical SMILES for 2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide is C[C@@](C#N)(NC(=O)CNC(c1ccccc1)c1ccccc1)C1CC1.
What is the InChIKey of 2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide?
The InChIKey is ITXGBHQXKMPUCC-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23N3O/c1-21(15-22,18-12-13-18)24-19(25)14-23-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,20,23H,12-14H2,1H3,(H,24,25)/t21-/m0/s1.
What are the key properties of 2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide?
2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide has a molecular weight of 333.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide is sourced from PubChem (CID 7531377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).