N-(3-aminophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide

C16H24N2O2 — CID 64745889

IUPACN-(3-aminophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide
SMILESCC1CCC(OCC(=O)Nc2cccc(N)c2)CC1C
InChIInChI=1S/C16H24N2O2/c1-11-6-7-15(8-12(11)2)20-10-16(19)18-14-5-3-4-13(17)9-14/h3-5,9,11-12,15H,6-8,10,17H2,1-2H3,(H,18,19)
InChIKeyZCCSRFMJEPSYCM-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.05
Rot. Bonds4

About N-(3-aminophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide

N-(3-aminophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide (PubChem CID 64745889) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide
PubChem CID64745889
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-aminophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide
SMILESCC1CCC(OCC(=O)Nc2cccc(N)c2)CC1C
InChIInChI=1S/C16H24N2O2/c1-11-6-7-15(8-12(11)2)20-10-16(19)18-14-5-3-4-13(17)9-14/h3-5,9,11-12,15H,6-8,10,17H2,1-2H3,(H,18,19)
InChIKeyZCCSRFMJEPSYCM-UHFFFAOYSA-N
XLogP3.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.05
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-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide
CID 64744330
N-(4-amino-2-chlorophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide
CID 64745115
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995366
3-[[2-(4-methylcyclohexyl)oxyacetyl]amino]benzoic acid
CID 138054765
N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
CID 97249076
3-[2-(3,4-dimethylcyclohexyl)oxyethoxy]aniline
CID 64746488
N-(3-aminophenyl)-4-cyclobutyloxybutanamide
CID 62116624
N-(3-methoxyphenyl)-2-(6-methylpiperidin-3-yl)oxyacetamide
CID 62073590
N-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide
CID 114592183
[2-(3-aminoanilino)-2-oxoethyl] 2,2,2-trifluoroacetate
CID 129217279
2-(3-aminocyclopentyl)oxy-N-(4-methylphenyl)acetamide
CID 79458232

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide?
The IUPAC name of N-(3-aminophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide (CID 64745889) is N-(3-aminophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide?
The canonical SMILES for N-(3-aminophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide is CC1CCC(OCC(=O)Nc2cccc(N)c2)CC1C.
What is the InChIKey of N-(3-aminophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide?
The InChIKey is ZCCSRFMJEPSYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-6-7-15(8-12(11)2)20-10-16(19)18-14-5-3-4-13(17)9-14/h3-5,9,11-12,15H,6-8,10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(3-aminophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide?
N-(3-aminophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide has a molecular weight of 276.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide is sourced from PubChem (CID 64745889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).