2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide

C19H22N2O2 — CID 27647223

IUPAC2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-15(22)21-18-11-9-17(10-12-18)14-19(23)20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,23)(H,21,22)
InChIKeyRRXCDKAKDVVKSV-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.94
Rot. Bonds7

About 2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide

2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide (PubChem CID 27647223) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
PubChem CID27647223
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-15(22)21-18-11-9-17(10-12-18)14-19(23)20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,23)(H,21,22)
InChIKeyRRXCDKAKDVVKSV-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
CID 2439696
2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide
CID 108792677
N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005083
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)acetamide
CID 11287807
2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 78804891
2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide
CID 108792623
2-[[2-(4-acetamidophenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
CID 23544107
3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid
CID 82224433
2-(4-nitrophenyl)-N-(3-phenylpropyl)acetamide
CID 3684715
3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide
CID 109024184
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide
CID 113061825
N-[3-(4-methoxyphenyl)propyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55919627

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide (CID 27647223) is 2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide is CC(=O)Nc1ccc(CC(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide?
The InChIKey is RRXCDKAKDVVKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15(22)21-18-11-9-17(10-12-18)14-19(23)20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide?
2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide has a molecular weight of 310.40 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 27647223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).