2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide

C18H20N2O — CID 43709659

IUPAC2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
SMILESNc1ccc(CC(=O)NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C18H20N2O/c19-16-10-6-13(7-11-16)12-17(21)20-18(15-8-9-15)14-4-2-1-3-5-14/h1-7,10-11,15,18H,8-9,12,19H2,(H,20,21)
InChIKeyZVTAZTTTZAPXFR-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.08
Rot. Bonds5

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

2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide (PubChem CID 43709659) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
PubChem CID43709659
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
SMILESNc1ccc(CC(=O)NC(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C18H20N2O/c19-16-10-6-13(7-11-16)12-17(21)20-18(15-8-9-15)14-4-2-1-3-5-14/h1-7,10-11,15,18H,8-9,12,19H2,(H,20,21)
InChIKeyZVTAZTTTZAPXFR-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.08
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

2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
CID 119689371
N-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide
CID 46513490
N-[cyclopentyl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 2964253
2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide
CID 119815702
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 55942285
2-(4-aminophenyl)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184600
[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
CID 30313916
N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 46539903
2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide
CID 61312189
7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride
CID 119698485
3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide
CID 119951252
N-[(R)-cyclopentyl(phenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2203053

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide (CID 43709659) is 2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide is Nc1ccc(CC(=O)NC(c2ccccc2)C2CC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide?
The InChIKey is ZVTAZTTTZAPXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-16-10-6-13(7-11-16)12-17(21)20-18(15-8-9-15)14-4-2-1-3-5-14/h1-7,10-11,15,18H,8-9,12,19H2,(H,20,21).
What are the key properties of 2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide?
2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide has a molecular weight of 280.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide is sourced from PubChem (CID 43709659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).