2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide

C13H18N2O — CID 115597585

IUPAC2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide
SMILESCC1CC1CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C13H18N2O/c1-9-6-11(9)8-15-13(16)7-10-2-4-12(14)5-3-10/h2-5,9,11H,6-8,14H2,1H3,(H,15,16)
InChIKeyAPRVFHMROWSQMG-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.58
Rot. Bonds4

About 2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide

2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide (PubChem CID 115597585) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide
PubChem CID115597585
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide
SMILESCC1CC1CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C13H18N2O/c1-9-6-11(9)8-15-13(16)7-10-2-4-12(14)5-3-10/h2-5,9,11H,6-8,14H2,1H3,(H,15,16)
InChIKeyAPRVFHMROWSQMG-UHFFFAOYSA-N
XLogP1.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107035035
3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide
CID 113463843
2-(4-aminophenyl)-N-(cyclopentylmethyl)acetamide
CID 43370694
2-(4-aminophenyl)-N-[[2-(methanesulfonamido)cyclopentyl]methyl]acetamide;hydrochloride
CID 119821585
3-[[2-(4-aminophenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 103809503
2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide
CID 113266165
N-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide
CID 47189594
N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107421052
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
2-hydroxy-N-[(2-methylcyclopropyl)methyl]acetamide
CID 126990825
2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride
CID 119676478
N-(2-aminoethyl)-2-(4-aminophenyl)acetamide
CID 55032139

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide (CID 115597585) is 2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide is CC1CC1CNC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide?
The InChIKey is APRVFHMROWSQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-6-11(9)8-15-13(16)7-10-2-4-12(14)5-3-10/h2-5,9,11H,6-8,14H2,1H3,(H,15,16).
What are the key properties of 2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide?
2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide has a molecular weight of 218.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 115597585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).