N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide

C16H24N2O2 — CID 60972004

IUPACN-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide
SMILESCOc1ccc(CNC(=O)CC2CCCCC2)cc1N
InChIInChI=1S/C16H24N2O2/c1-20-15-8-7-13(9-14(15)17)11-18-16(19)10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11,17H2,1H3,(H,18,19)
InChIKeyXJJGSGXHEFYDCH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.86
Rot. Bonds5

About N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide

N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide (PubChem CID 60972004) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide
PubChem CID60972004
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide
SMILESCOc1ccc(CNC(=O)CC2CCCCC2)cc1N
InChIInChI=1S/C16H24N2O2/c1-20-15-8-7-13(9-14(15)17)11-18-16(19)10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11,17H2,1H3,(H,18,19)
InChIKeyXJJGSGXHEFYDCH-UHFFFAOYSA-N
XLogP2.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.86
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-methoxyphenyl)methyl]-2-cyclopropylacetamide
CID 55031718
2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide
CID 103164409
N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 60971610
N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide
CID 60972239
2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
CID 54786541
3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 4794325
N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 79155782
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide
CID 104847616
2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 46590599
N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60972714
N-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide
CID 107233781

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide (CID 60972004) is N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide is COc1ccc(CNC(=O)CC2CCCCC2)cc1N.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide?
The InChIKey is XJJGSGXHEFYDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-15-8-7-13(9-14(15)17)11-18-16(19)10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11,17H2,1H3,(H,18,19).
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide?
N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide has a molecular weight of 276.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide is sourced from PubChem (CID 60972004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).