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

C19H23N3O2 — CID 109005083

IUPACN-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNCCCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-15(23)21-17-9-11-18(12-10-17)22-19(24)14-20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,20H,5,8,13-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyPHGNQELKEBMIQO-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.81
Rot. Bonds8

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

N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide (PubChem CID 109005083) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide
PubChem CID109005083
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNCCCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-15(23)21-17-9-11-18(12-10-17)22-19(24)14-20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,20H,5,8,13-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyPHGNQELKEBMIQO-UHFFFAOYSA-N
XLogP2.81
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005056
N-[4-[[2-(heptylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814556
2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
CID 27647223
N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide
CID 109030973
N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358506
N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825334
N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide
CID 54815208
2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
CID 2439696
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide
CID 109006756
N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815122
N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005123
3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109030939

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide (CID 109005083) is N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide is CC(=O)Nc1ccc(NC(=O)CNCCCc2ccccc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide?
The InChIKey is PHGNQELKEBMIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15(23)21-17-9-11-18(12-10-17)22-19(24)14-20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,20H,5,8,13-14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide?
N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide has a molecular weight of 325.41 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide is sourced from PubChem (CID 109005083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).