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

C13H18N2O2 — CID 55031718

IUPACN-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide
SMILESCOc1ccc(CNC(=O)CC2CC2)cc1N
InChIInChI=1S/C13H18N2O2/c1-17-12-5-4-10(6-11(12)14)8-15-13(16)7-9-2-3-9/h4-6,9H,2-3,7-8,14H2,1H3,(H,15,16)
InChIKeyNYNFFWREWLUJEO-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.69
Rot. Bonds5

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

N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide (PubChem CID 55031718) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide
PubChem CID55031718
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide
SMILESCOc1ccc(CNC(=O)CC2CC2)cc1N
InChIInChI=1S/C13H18N2O2/c1-17-12-5-4-10(6-11(12)14)8-15-13(16)7-9-2-3-9/h4-6,9H,2-3,7-8,14H2,1H3,(H,15,16)
InChIKeyNYNFFWREWLUJEO-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.69
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-cyclohexylacetamide
CID 60972004
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-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide
CID 103164409
N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60972714
N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide
CID 60972241
N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503557
N-[(3-amino-4-methoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 79211970
2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
CID 54786541
N-[(3-amino-4-methoxyphenyl)methyl]-2,2-dimethylbutanamide
CID 62678934
N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 79155782
3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide
CID 94759047

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide (CID 55031718) is N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide is COc1ccc(CNC(=O)CC2CC2)cc1N.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide?
The InChIKey is NYNFFWREWLUJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-12-5-4-10(6-11(12)14)8-15-13(16)7-9-2-3-9/h4-6,9H,2-3,7-8,14H2,1H3,(H,15,16).
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide?
N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide has a molecular weight of 234.30 g/mol, XLogP of 1.69, 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-cyclopropylacetamide is sourced from PubChem (CID 55031718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).