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

C16H23ClN2O2 — CID 114340622

IUPACN-(3-amino-4-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide
SMILESCC1(C)CCC(OCC(=O)Nc2ccc(Cl)c(N)c2)CC1
InChIInChI=1S/C16H23ClN2O2/c1-16(2)7-5-12(6-8-16)21-10-15(20)19-11-3-4-13(17)14(18)9-11/h3-4,9,12H,5-8,10,18H2,1-2H3,(H,19,20)
InChIKeyUYXZCRGDOVKSEM-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.85
Rot. Bonds4

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

N-(3-amino-4-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide (PubChem CID 114340622) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide
PubChem CID114340622
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide
SMILESCC1(C)CCC(OCC(=O)Nc2ccc(Cl)c(N)c2)CC1
InChIInChI=1S/C16H23ClN2O2/c1-16(2)7-5-12(6-8-16)21-10-15(20)19-11-3-4-13(17)14(18)9-11/h3-4,9,12H,5-8,10,18H2,1-2H3,(H,19,20)
InChIKeyUYXZCRGDOVKSEM-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
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-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16794185
N-(3-amino-4-chlorophenyl)-2-(oxetan-3-yloxy)acetamide
CID 102605623
N-(2-aminophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide
CID 114340601
N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63686148
N-(5-amino-2-fluorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide
CID 114340602
N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide
CID 96551042
(4,4-dimethylcyclohexyl) 3-amino-4-chlorobenzoate
CID 114341504
N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide
CID 60800025
N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide
CID 43274939
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 30111948
N-(4-aminophenyl)-2-cyclopentyloxyacetamide
CID 16783535

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide (CID 114340622) is N-(3-amino-4-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide is CC1(C)CCC(OCC(=O)Nc2ccc(Cl)c(N)c2)CC1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide?
The InChIKey is UYXZCRGDOVKSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-16(2)7-5-12(6-8-16)21-10-15(20)19-11-3-4-13(17)14(18)9-11/h3-4,9,12H,5-8,10,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide?
N-(3-amino-4-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide has a molecular weight of 310.82 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide is sourced from PubChem (CID 114340622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).