2-(3-aminophenyl)-N-(2-phenylcyclopropyl)acetamide

C17H18N2O — CID 62498054

IUPAC2-(3-aminophenyl)-N-(2-phenylcyclopropyl)acetamide
SMILESNc1cccc(CC(=O)NC2CC2c2ccccc2)c1
InChIInChI=1S/C17H18N2O/c18-14-8-4-5-12(9-14)10-17(20)19-16-11-15(16)13-6-2-1-3-7-13/h1-9,15-16H,10-11,18H2,(H,19,20)
InChIKeyOPOOKYUMBFHOJK-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.48
Rot. Bonds4

About 2-(3-aminophenyl)-N-(2-phenylcyclopropyl)acetamide

2-(3-aminophenyl)-N-(2-phenylcyclopropyl)acetamide (PubChem CID 62498054) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(2-phenylcyclopropyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(2-phenylcyclopropyl)acetamide
PubChem CID62498054
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(3-aminophenyl)-N-(2-phenylcyclopropyl)acetamide
SMILESNc1cccc(CC(=O)NC2CC2c2ccccc2)c1
InChIInChI=1S/C17H18N2O/c18-14-8-4-5-12(9-14)10-17(20)19-16-11-15(16)13-6-2-1-3-7-13/h1-9,15-16H,10-11,18H2,(H,19,20)
InChIKeyOPOOKYUMBFHOJK-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-1-[2-[3-[2-[(3S,4S)-3,4-bis[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]phenyl]acetyl]-3-N,4-N-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide
CID 154586669
benzyl N-(2-phenylcyclopropyl)carbamate
CID 12682022
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide
CID 166359275
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
2-(3-aminophenyl)-N-(2-ethylcyclohexyl)acetamide
CID 55083950
2-(3-aminophenyl)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
CID 55084044
2-(3-aminopyrazol-1-yl)-N-(2-phenylcyclopropyl)acetamide
CID 62113920
2-(3-aminophenyl)-N-phenylmethoxyacetamide
CID 65350168
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
2-(4-aminophenyl)-N-(2-phenylcyclopentyl)acetamide;hydrochloride
CID 119783054

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(2-phenylcyclopropyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(2-phenylcyclopropyl)acetamide (CID 62498054) is 2-(3-aminophenyl)-N-(2-phenylcyclopropyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(2-phenylcyclopropyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(2-phenylcyclopropyl)acetamide is Nc1cccc(CC(=O)NC2CC2c2ccccc2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(2-phenylcyclopropyl)acetamide?
The InChIKey is OPOOKYUMBFHOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-14-8-4-5-12(9-14)10-17(20)19-16-11-15(16)13-6-2-1-3-7-13/h1-9,15-16H,10-11,18H2,(H,19,20).
What are the key properties of 2-(3-aminophenyl)-N-(2-phenylcyclopropyl)acetamide?
2-(3-aminophenyl)-N-(2-phenylcyclopropyl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(2-phenylcyclopropyl)acetamide is sourced from PubChem (CID 62498054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).