N-benzhydryl-2-(prop-2-ynylamino)acetamide

C18H18N2O — CID 78908468

IUPACN-benzhydryl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-2-13-19-14-17(21)20-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h1,3-12,18-19H,13-14H2,(H,20,21)
InChIKeyVAIWWBCQRNEFAZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.12
Rot. Bonds6

About N-benzhydryl-2-(prop-2-ynylamino)acetamide

N-benzhydryl-2-(prop-2-ynylamino)acetamide (PubChem CID 78908468) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-benzhydryl-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(prop-2-ynylamino)acetamide
PubChem CID78908468
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-benzhydryl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-2-13-19-14-17(21)20-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h1,3-12,18-19H,13-14H2,(H,20,21)
InChIKeyVAIWWBCQRNEFAZ-UHFFFAOYSA-N
XLogP2.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzhydryl-3-prop-2-ynylurea
CID 41304336
N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide
CID 79269795
N-benzhydryl-2-(furan-2-ylmethylamino)acetamide
CID 1459234
3,3-diphenyl-N-prop-2-ynylpropanamide
CID 30600997
N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide
CID 60661858
3-[4-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]butanoic acid
CID 104503034
N-benzhydryl-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306893
(3R)-3-(benzhydrylamino)butanoic acid
CID 69229544
N-[1-(2-propan-2-yloxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79287379
N-benzhydryl-2-(cyclopropylamino)acetamide
CID 60647106
N-[2-(1-hydroxyethyl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79287334
N-[2-[[2-[[2-[[2-[[2-[[2-(methylamino)-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-(prop-2-ynylamino)acetamide
CID 135026326

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-benzhydryl-2-(prop-2-ynylamino)acetamide (CID 78908468) is N-benzhydryl-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-benzhydryl-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-benzhydryl-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(prop-2-ynylamino)acetamide?
The InChIKey is VAIWWBCQRNEFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-13-19-14-17(21)20-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h1,3-12,18-19H,13-14H2,(H,20,21).
What are the key properties of N-benzhydryl-2-(prop-2-ynylamino)acetamide?
N-benzhydryl-2-(prop-2-ynylamino)acetamide has a molecular weight of 278.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 78908468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).