2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide

C18H22N2O — CID 106591039

IUPAC2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
SMILESCC(CNC(=O)C(C)c1cccc(N)c1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-13(15-7-4-3-5-8-15)12-20-18(21)14(2)16-9-6-10-17(19)11-16/h3-11,13-14H,12,19H2,1-2H3,(H,20,21)
InChIKeyKSGGWSNRJUFKAZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.29
Rot. Bonds5

About 2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide

2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide (PubChem CID 106591039) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
PubChem CID106591039
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
SMILESCC(CNC(=O)C(C)c1cccc(N)c1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-13(15-7-4-3-5-8-15)12-20-18(21)14(2)16-9-6-10-17(19)11-16/h3-11,13-14H,12,19H2,1-2H3,(H,20,21)
InChIKeyKSGGWSNRJUFKAZ-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.29
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

2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920
2-(3-aminophenyl)-N-(2,3,3-trimethylbutyl)propanamide
CID 106591730
2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide
CID 106591805
2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide
CID 106591203
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339
2-(3-aminophenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 106590796
2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 106591406
2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 106591538
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 9427304
(2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride
CID 119270188

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide (CID 106591039) is 2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide is CC(CNC(=O)C(C)c1cccc(N)c1)c1ccccc1.
What is the InChIKey of 2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide?
The InChIKey is KSGGWSNRJUFKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(15-7-4-3-5-8-15)12-20-18(21)14(2)16-9-6-10-17(19)11-16/h3-11,13-14H,12,19H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide?
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide has a molecular weight of 282.39 g/mol, XLogP of 3.29, 5 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-phenylpropyl)propanamide is sourced from PubChem (CID 106591039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).