2-(N-(2-chloroacetyl)-4-methylanilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide

C24H29ClN2O3 — CID 4230741

IUPAC2-(N-(2-chloroacetyl)-4-methylanilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)CCl)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H29ClN2O3/c1-17-8-12-20(13-9-17)27(22(28)16-25)23(18-10-14-21(30-2)15-11-18)24(29)26-19-6-4-3-5-7-19/h8-15,19,23H,3-7,16H2,1-2H3,(H,26,29)
InChIKeyCZIXLHOOLIYHDR-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.77
Rot. Bonds7

About 2-(N-(2-chloroacetyl)-4-methylanilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide

2-(N-(2-chloroacetyl)-4-methylanilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide (PubChem CID 4230741) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is 2-(N-(2-chloroacetyl)-4-methylanilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(2-chloroacetyl)-4-methylanilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
PubChem CID4230741
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC Name2-(N-(2-chloroacetyl)-4-methylanilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)CCl)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H29ClN2O3/c1-17-8-12-20(13-9-17)27(22(28)16-25)23(18-10-14-21(30-2)15-11-18)24(29)26-19-6-4-3-5-7-19/h8-15,19,23H,3-7,16H2,1-2H3,(H,26,29)
InChIKeyCZIXLHOOLIYHDR-UHFFFAOYSA-N
XLogP4.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione
CID 5288679
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464473
N-Phenylacetyl-glycin-p-anisidid
CID 9412035
N-(3,4-dimethylphenyl)-1-(4-methoxybenzoyl)-3-piperidinamine
CID 24790277
N-[2-(4-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 2218126
N~1~-{2-[4-(4-Methoxyphenyl)piperazino]-2-oxoethyl}-2-phenylacetamide
CID 2568912
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3,5-dimethoxyphenyl)prop-2-ynamide
CID 3216713
N-[1-(4-methoxyphenyl)-2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl]-N-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 4428639
N'-(3-fluoro-4-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585167
2-[(chloroacetyl)(3-chlorophenyl)amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 12004949
4-(4-methoxybenzylamino)-N-(2-aminophenyl)benzamide
CID 22478630
N-[4-[4-[2-(diethylamino)-2-oxo-1-[4-(trifluoromethoxy)phenyl]ethyl]piperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide
CID 58870642

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-chloroacetyl)-4-methylanilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(N-(2-chloroacetyl)-4-methylanilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide (CID 4230741) is 2-(N-(2-chloroacetyl)-4-methylanilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-(2-chloroacetyl)-4-methylanilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(N-(2-chloroacetyl)-4-methylanilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide is COc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)CCl)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(N-(2-chloroacetyl)-4-methylanilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide?
The InChIKey is CZIXLHOOLIYHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O3/c1-17-8-12-20(13-9-17)27(22(28)16-25)23(18-10-14-21(30-2)15-11-18)24(29)26-19-6-4-3-5-7-19/h8-15,19,23H,3-7,16H2,1-2H3,(H,26,29).
What are the key properties of 2-(N-(2-chloroacetyl)-4-methylanilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide?
2-(N-(2-chloroacetyl)-4-methylanilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide has a molecular weight of 428.96 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-chloroacetyl)-4-methylanilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 4230741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).