N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide

C24H26N2O2 — CID 1466138

IUPACN-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide
SMILESC#CC(=O)N(c1ccccc1C)[C@H](C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C24H26N2O2/c1-3-22(27)26(21-17-11-10-12-18(21)2)23(19-13-6-4-7-14-19)24(28)25-20-15-8-5-9-16-20/h1,4,6-7,10-14,17,20,23H,5,8-9,15-16H2,2H3,(H,25,28)/t23-/m0/s1
InChIKeyGBPXWCCSENQMIZ-QHCPKHFHSA-N
MW374.48 g/mol
LogP4.15
Rot. Bonds5

About N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide

N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide (PubChem CID 1466138) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide
PubChem CID1466138
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide
SMILESC#CC(=O)N(c1ccccc1C)[C@H](C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C24H26N2O2/c1-3-22(27)26(21-17-11-10-12-18(21)2)23(19-13-6-4-7-14-19)24(28)25-20-15-8-5-9-16-20/h1,4,6-7,10-14,17,20,23H,5,8-9,15-16H2,2H3,(H,25,28)/t23-/m0/s1
InChIKeyGBPXWCCSENQMIZ-QHCPKHFHSA-N
XLogP4.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.15
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-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 7404338
N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide
CID 1466116
(2S)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(2-hydroxyphenyl)propanamide
CID 50992708
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide
CID 1466114
N-[(2-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide
CID 52951265
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3,5-dimethoxyphenyl)prop-2-ynamide
CID 3216713
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 25410205
N-(2,3,4a,5-tetrahydro-1,4-benzodioxin-6-yl)-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide
CID 123283203
N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 44546043
N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 1441734
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 25410432
N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3202956

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide?
The IUPAC name of N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide (CID 1466138) is N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide.
What is the SMILES notation for N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide?
The canonical SMILES for N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide is C#CC(=O)N(c1ccccc1C)[C@H](C(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide?
The InChIKey is GBPXWCCSENQMIZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-3-22(27)26(21-17-11-10-12-18(21)2)23(19-13-6-4-7-14-19)24(28)25-20-15-8-5-9-16-20/h1,4,6-7,10-14,17,20,23H,5,8-9,15-16H2,2H3,(H,25,28)/t23-/m0/s1.
What are the key properties of N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide?
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide has a molecular weight of 374.48 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide is sourced from PubChem (CID 1466138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).