N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide

C17H26N2O2 — CID 115308488

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC1(CN)CCCCC1C
InChIInChI=1S/C17H26N2O2/c1-13-7-5-6-10-17(13,12-18)19-16(20)11-14-8-3-4-9-15(14)21-2/h3-4,8-9,13H,5-7,10-12,18H2,1-2H3,(H,19,20)
InChIKeyHQMVMMGONZHLGZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.26
Rot. Bonds5

About N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide (PubChem CID 115308488) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide
PubChem CID115308488
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC1(CN)CCCCC1C
InChIInChI=1S/C17H26N2O2/c1-13-7-5-6-10-17(13,12-18)19-16(20)11-14-8-3-4-9-15(14)21-2/h3-4,8-9,13H,5-7,10-12,18H2,1-2H3,(H,19,20)
InChIKeyHQMVMMGONZHLGZ-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-2-methoxy-2-phenylacetamide
CID 115308431
N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
CID 113283646
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(cyclohexen-1-yl)acetamide
CID 115308576
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methoxybutanamide
CID 115308528
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide
CID 115308452
N-(2-aminocyclohexyl)-2-(2-methoxyphenyl)acetamide
CID 55149839
N-[1-(aminomethyl)-2-methylcyclohexyl]but-3-enamide
CID 115308433
N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 119404004
N-[1-(aminomethyl)-2-methylcyclohexyl]nonanamide
CID 115308344
N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide
CID 103798304
2-(2-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)acetamide
CID 122276372
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide
CID 107098315

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide (CID 115308488) is N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NC1(CN)CCCCC1C.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is HQMVMMGONZHLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-7-5-6-10-17(13,12-18)19-16(20)11-14-8-3-4-9-15(14)21-2/h3-4,8-9,13H,5-7,10-12,18H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 115308488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).