N-[3-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide

C17H26N2O2 — CID 64744330

IUPACN-[3-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide
SMILESCC1CCC(OCC(=O)Nc2cccc(CN)c2)CC1C
InChIInChI=1S/C17H26N2O2/c1-12-6-7-16(8-13(12)2)21-11-17(20)19-15-5-3-4-14(9-15)10-18/h3-5,9,12-13,16H,6-8,10-11,18H2,1-2H3,(H,19,20)
InChIKeyKJGBJGUKWMMXKR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.93
Rot. Bonds5

About N-[3-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide

N-[3-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide (PubChem CID 64744330) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide
PubChem CID64744330
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[3-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide
SMILESCC1CCC(OCC(=O)Nc2cccc(CN)c2)CC1C
InChIInChI=1S/C17H26N2O2/c1-12-6-7-16(8-13(12)2)21-11-17(20)19-15-5-3-4-14(9-15)10-18/h3-5,9,12-13,16H,6-8,10-11,18H2,1-2H3,(H,19,20)
InChIKeyKJGBJGUKWMMXKR-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide
CID 64745889
1-[3-(aminomethyl)phenyl]-3-(3,4-dimethylcyclohexyl)urea
CID 64743523
N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
CID 97249076
N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
CID 55041403
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
N-(4-amino-2-chlorophenyl)-2-(3,4-dimethylcyclohexyl)oxyacetamide
CID 64745115
3-[[2-(4-methylcyclohexyl)oxyacetyl]amino]benzoic acid
CID 138054765
N-[3-(aminomethyl)phenyl]-2-phenoxyacetamide
CID 16781265
propyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309364
cyclobutyl N-[3-(aminomethyl)phenyl]carbamate
CID 62139708
cyclopentyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309315
N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 16783753

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide (CID 64744330) is N-[3-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide is CC1CCC(OCC(=O)Nc2cccc(CN)c2)CC1C.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide?
The InChIKey is KJGBJGUKWMMXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-6-7-16(8-13(12)2)21-11-17(20)19-15-5-3-4-14(9-15)10-18/h3-5,9,12-13,16H,6-8,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide?
N-[3-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-(3,4-dimethylcyclohexyl)oxyacetamide is sourced from PubChem (CID 64744330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).