N-(4-acetylphenyl)-3-(pentylamino)propanamide

C16H24N2O2 — CID 109032281

IUPACN-(4-acetylphenyl)-3-(pentylamino)propanamide
SMILESCCCCCNCCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C16H24N2O2/c1-3-4-5-11-17-12-10-16(20)18-15-8-6-14(7-9-15)13(2)19/h6-9,17H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyPGAWRSNYPKLHKT-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.00
Rot. Bonds9

About N-(4-acetylphenyl)-3-(pentylamino)propanamide

N-(4-acetylphenyl)-3-(pentylamino)propanamide (PubChem CID 109032281) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(pentylamino)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(pentylamino)propanamide
PubChem CID109032281
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(4-acetylphenyl)-3-(pentylamino)propanamide
SMILESCCCCCNCCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C16H24N2O2/c1-3-4-5-11-17-12-10-16(20)18-15-8-6-14(7-9-15)13(2)19/h6-9,17H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyPGAWRSNYPKLHKT-UHFFFAOYSA-N
XLogP3.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.00
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-acetylphenyl)-3-(pentylamino)propanamide
CID 109032280
N-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide
CID 109017139
N-(4-acetylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
CID 109016465
N-(4-acetamidophenyl)-3-(propylamino)propanamide
CID 109011595
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
4-(butanoylamino)-N-hexylbenzamide
CID 3934901
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
N-(1,3-benzodioxol-5-yl)-3-(pentylamino)propanamide
CID 109032303
methyl 3-[3-(pentylamino)propanoylamino]benzoate
CID 109032285
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide
CID 109032304

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(pentylamino)propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(pentylamino)propanamide (CID 109032281) is N-(4-acetylphenyl)-3-(pentylamino)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(pentylamino)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(pentylamino)propanamide is CCCCCNCCC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(pentylamino)propanamide?
The InChIKey is PGAWRSNYPKLHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-4-5-11-17-12-10-16(20)18-15-8-6-14(7-9-15)13(2)19/h6-9,17H,3-5,10-12H2,1-2H3,(H,18,20).
What are the key properties of N-(4-acetylphenyl)-3-(pentylamino)propanamide?
N-(4-acetylphenyl)-3-(pentylamino)propanamide has a molecular weight of 276.38 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(pentylamino)propanamide is sourced from PubChem (CID 109032281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).