N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide

C19H22N2O2 — CID 109024328

IUPACN-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCNCCc2ccccc2)c1
InChIInChI=1S/C19H22N2O2/c1-15(22)17-8-5-9-18(14-17)21-19(23)11-13-20-12-10-16-6-3-2-4-7-16/h2-9,14,20H,10-13H2,1H3,(H,21,23)
InChIKeyAQDPODPQHXIZPK-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.05
Rot. Bonds8

About N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide

N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide (PubChem CID 109024328) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide
PubChem CID109024328
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCNCCc2ccccc2)c1
InChIInChI=1S/C19H22N2O2/c1-15(22)17-8-5-9-18(14-17)21-19(23)11-13-20-12-10-16-6-3-2-4-7-16/h2-9,14,20H,10-13H2,1H3,(H,21,23)
InChIKeyAQDPODPQHXIZPK-UHFFFAOYSA-N
XLogP3.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide
CID 109030973
N-(3-acetylphenyl)-3-(pentylamino)propanamide
CID 109032280
N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019689
N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024309
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055307
3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide
CID 109030863
N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220931
3-[3-(ethylamino)propanoylamino]benzoic acid
CID 62835721
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
N,N-diethyl-3-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815120
N'-(3-acetylphenyl)-N-benzylpropanediamide
CID 108945305

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide (CID 109024328) is N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide is CC(=O)c1cccc(NC(=O)CCNCCc2ccccc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide?
The InChIKey is AQDPODPQHXIZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15(22)17-8-5-9-18(14-17)21-19(23)11-13-20-12-10-16-6-3-2-4-7-16/h2-9,14,20H,10-13H2,1H3,(H,21,23).
What are the key properties of N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide?
N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide has a molecular weight of 310.40 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide is sourced from PubChem (CID 109024328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).