N-(4-amino-2-chlorophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide

C16H23ClN2O2 — CID 64745115

IUPACN-(4-amino-2-chlorophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide
SMILESCC1CCC(OCC(=O)Nc2ccc(N)cc2Cl)CC1C
InChIInChI=1S/C16H23ClN2O2/c1-10-3-5-13(7-11(10)2)21-9-16(20)19-15-6-4-12(18)8-14(15)17/h4,6,8,10-11,13H,3,5,7,9,18H2,1-2H3,(H,19,20)
InChIKeyREQIBZQNFMTWQK-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.70
Rot. Bonds4

About N-(4-amino-2-chlorophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide

N-(4-amino-2-chlorophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide (PubChem CID 64745115) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide
PubChem CID64745115
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide
SMILESCC1CCC(OCC(=O)Nc2ccc(N)cc2Cl)CC1C
InChIInChI=1S/C16H23ClN2O2/c1-10-3-5-13(7-11(10)2)21-9-16(20)19-15-6-4-12(18)8-14(15)17/h4,6,8,10-11,13H,3,5,7,9,18H2,1-2H3,(H,19,20)
InChIKeyREQIBZQNFMTWQK-UHFFFAOYSA-N
XLogP3.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide
CID 64745889
N-(4-amino-2-methoxyphenyl)-2-(4-methylcyclohexyl)oxyacetamide
CID 18070790
N-(4-amino-2-chlorophenyl)-2-(cyclopentylmethoxy)acetamide
CID 66324082
N-[3-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide
CID 64744330
N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61289356
N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide
CID 62116153
N-(4-aminophenyl)-3-(3,4-dimethylcyclohexyl)oxypropanamide
CID 64745512
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955922
N-(2-amino-4-methylphenyl)-2-(4-methylcyclohexyl)oxyacetamide
CID 43376622
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
N-(4-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 28776891
N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 54882152

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide (CID 64745115) is N-(4-amino-2-chlorophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide is CC1CCC(OCC(=O)Nc2ccc(N)cc2Cl)CC1C.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide?
The InChIKey is REQIBZQNFMTWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-10-3-5-13(7-11(10)2)21-9-16(20)19-15-6-4-12(18)8-14(15)17/h4,6,8,10-11,13H,3,5,7,9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide?
N-(4-amino-2-chlorophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide has a molecular weight of 310.82 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide is sourced from PubChem (CID 64745115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).