N-cyclopentyl-2-(4-methylphenyl)-2-(N-prop-2-enylanilino)acetamide

C23H28N2O — CID 4177936

IUPACN-cyclopentyl-2-(4-methylphenyl)-2-(N-prop-2-enylanilino)acetamide
SMILESC=CCN(c1ccccc1)C(C(=O)NC1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C23H28N2O/c1-3-17-25(21-11-5-4-6-12-21)22(19-15-13-18(2)14-16-19)23(26)24-20-9-7-8-10-20/h3-6,11-16,20,22H,1,7-10,17H2,2H3,(H,24,26)
InChIKeyCJLCBELYETZERL-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.79
Rot. Bonds7

About N-cyclopentyl-2-(4-methylphenyl)-2-(N-prop-2-enylanilino)acetamide

N-cyclopentyl-2-(4-methylphenyl)-2-(N-prop-2-enylanilino)acetamide (PubChem CID 4177936) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methylphenyl)-2-(N-prop-2-enylanilino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-methylphenyl)-2-(N-prop-2-enylanilino)acetamide
PubChem CID4177936
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-cyclopentyl-2-(4-methylphenyl)-2-(N-prop-2-enylanilino)acetamide
SMILESC=CCN(c1ccccc1)C(C(=O)NC1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C23H28N2O/c1-3-17-25(21-11-5-4-6-12-21)22(19-15-13-18(2)14-16-19)23(26)24-20-9-7-8-10-20/h3-6,11-16,20,22H,1,7-10,17H2,2H3,(H,24,26)
InChIKeyCJLCBELYETZERL-UHFFFAOYSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide
CID 94233334
N-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide
CID 4177926
tert-butyl N-[1-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-prop-2-enylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 18039088
N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3196980
N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide
CID 3210627
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 7145267
5-(N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-5-oxopentanoic acid
CID 21156879
2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
CID 4276966
N-cyclohexyl-2-[(1,3-dioxoisoindol-2-yl)-prop-2-enylamino]-3-methylbutanamide
CID 132605819
N-[2-[[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211059
N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide
CID 3196978
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide
CID 650817

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-methylphenyl)-2-(N-prop-2-enylanilino)acetamide?
The IUPAC name of N-cyclopentyl-2-(4-methylphenyl)-2-(N-prop-2-enylanilino)acetamide (CID 4177936) is N-cyclopentyl-2-(4-methylphenyl)-2-(N-prop-2-enylanilino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-methylphenyl)-2-(N-prop-2-enylanilino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-methylphenyl)-2-(N-prop-2-enylanilino)acetamide is C=CCN(c1ccccc1)C(C(=O)NC1CCCC1)c1ccc(C)cc1.
What is the InChIKey of N-cyclopentyl-2-(4-methylphenyl)-2-(N-prop-2-enylanilino)acetamide?
The InChIKey is CJLCBELYETZERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-3-17-25(21-11-5-4-6-12-21)22(19-15-13-18(2)14-16-19)23(26)24-20-9-7-8-10-20/h3-6,11-16,20,22H,1,7-10,17H2,2H3,(H,24,26).
What are the key properties of N-cyclopentyl-2-(4-methylphenyl)-2-(N-prop-2-enylanilino)acetamide?
N-cyclopentyl-2-(4-methylphenyl)-2-(N-prop-2-enylanilino)acetamide has a molecular weight of 348.49 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-methylphenyl)-2-(N-prop-2-enylanilino)acetamide is sourced from PubChem (CID 4177936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).