N-(2-amino-2-oxo-1-phenylethyl)-N-cyclohexylprop-2-ynamide

C17H20N2O2 — CID 170769067

IUPACN-(2-amino-2-oxo-1-phenylethyl)-N-cyclohexylprop-2-ynamide
SMILESC#CC(=O)N(C1CCCCC1)C(C(N)=O)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-2-15(20)19(14-11-7-4-8-12-14)16(17(18)21)13-9-5-3-6-10-13/h1,3,5-6,9-10,14,16H,4,7-8,11-12H2,(H2,18,21)
InChIKeyBEUHJCQXUUQQBN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.01
Rot. Bonds4

About N-(2-amino-2-oxo-1-phenylethyl)-N-cyclohexylprop-2-ynamide

N-(2-amino-2-oxo-1-phenylethyl)-N-cyclohexylprop-2-ynamide (PubChem CID 170769067) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-N-cyclohexylprop-2-ynamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-N-cyclohexylprop-2-ynamide
PubChem CID170769067
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-N-cyclohexylprop-2-ynamide
SMILESC#CC(=O)N(C1CCCCC1)C(C(N)=O)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-2-15(20)19(14-11-7-4-8-12-14)16(17(18)21)13-9-5-3-6-10-13/h1,3,5-6,9-10,14,16H,4,7-8,11-12H2,(H2,18,21)
InChIKeyBEUHJCQXUUQQBN-UHFFFAOYSA-N
XLogP2.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide
CID 1466138
N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-1-cyclohexylethyl]benzamide
CID 118247037
N-[(2-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide
CID 52951265
2-amino-1-cyclohexyl-2-phenylethanone
CID 116551119
N,N-dibenzhydrylcyclohexanamine
CID 139723956
1-[chloro(phenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 150441182
(2R)-2-amino-N-cyclohexyl-N-ethyl-2-phenylacetamide
CID 61148081
N,N-dicyclohexyl-2-phenyl-2-phenylsulfanylacetamide
CID 4055742
N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide
CID 1466116
cyclohexanecarboxylic acid;(1R)-1-phenylethanamine
CID 129012028
2-amino-N-cyclopentyl-N-methyl-2-phenylacetamide
CID 43267220
N-(2-amino-2-oxoethyl)-2-cyano-N-cyclopentyl-2-phenylacetamide
CID 62879122

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-N-cyclohexylprop-2-ynamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-N-cyclohexylprop-2-ynamide (CID 170769067) is N-(2-amino-2-oxo-1-phenylethyl)-N-cyclohexylprop-2-ynamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-N-cyclohexylprop-2-ynamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-N-cyclohexylprop-2-ynamide is C#CC(=O)N(C1CCCCC1)C(C(N)=O)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-N-cyclohexylprop-2-ynamide?
The InChIKey is BEUHJCQXUUQQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-15(20)19(14-11-7-4-8-12-14)16(17(18)21)13-9-5-3-6-10-13/h1,3,5-6,9-10,14,16H,4,7-8,11-12H2,(H2,18,21).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-N-cyclohexylprop-2-ynamide?
N-(2-amino-2-oxo-1-phenylethyl)-N-cyclohexylprop-2-ynamide has a molecular weight of 284.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-N-cyclohexylprop-2-ynamide is sourced from PubChem (CID 170769067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).