N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide

C20H25N3O2 — CID 109030973

IUPACN-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCNCCCc2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c1-16(24)22-18-10-5-11-19(15-18)23-20(25)12-14-21-13-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-11,15,21H,6,9,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyBVECMUKPFBHYNE-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.20
Rot. Bonds9

About N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide

N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide (PubChem CID 109030973) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide
PubChem CID109030973
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCNCCCc2ccccc2)c1
InChIInChI=1S/C20H25N3O2/c1-16(24)22-18-10-5-11-19(15-18)23-20(25)12-14-21-13-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-11,15,21H,6,9,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyBVECMUKPFBHYNE-UHFFFAOYSA-N
XLogP3.20
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.20
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-[3-(3-phenylpropylamino)phenyl]acetamide
CID 3022474
N-(3-acetylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024328
N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005083
3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109030939
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
N-(2-methylphenyl)-3-(3-phenylpropylamino)propanamide
CID 109030922
methyl N-[3-(4-phenylbutanoylamino)phenyl]carbamate
CID 60533219
4-(3-acetamidoanilino)-4-oxobutanoic acid
CID 825460
5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888
N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024309
N-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide
CID 109033478
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-phenylpropylamino)propanamide
CID 109030984

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide (CID 109030973) is N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide is CC(=O)Nc1cccc(NC(=O)CCNCCCc2ccccc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide?
The InChIKey is BVECMUKPFBHYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16(24)22-18-10-5-11-19(15-18)23-20(25)12-14-21-13-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-11,15,21H,6,9,12-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide?
N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide has a molecular weight of 339.44 g/mol, XLogP of 3.20, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide is sourced from PubChem (CID 109030973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).