N-(4-acetamidophenyl)-3-(propylamino)propanamide

C14H21N3O2 — CID 109011595

IUPACN-(4-acetamidophenyl)-3-(propylamino)propanamide
SMILESCCCNCCC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H21N3O2/c1-3-9-15-10-8-14(19)17-13-6-4-12(5-7-13)16-11(2)18/h4-7,15H,3,8-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyRSGBTWNMZGKHFI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.97
Rot. Bonds7

About N-(4-acetamidophenyl)-3-(propylamino)propanamide

N-(4-acetamidophenyl)-3-(propylamino)propanamide (PubChem CID 109011595) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(propylamino)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(propylamino)propanamide
PubChem CID109011595
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(4-acetamidophenyl)-3-(propylamino)propanamide
SMILESCCCNCCC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H21N3O2/c1-3-9-15-10-8-14(19)17-13-6-4-12(5-7-13)16-11(2)18/h4-7,15H,3,8-10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyRSGBTWNMZGKHFI-UHFFFAOYSA-N
XLogP1.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.97
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

ethyl 4-[3-(propylamino)propanoylamino]benzoate
CID 109011620
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-(4-acetylphenyl)-3-(pentylamino)propanamide
CID 109032281
N-(4-acetamidophenyl)-3-(4-ethylanilino)propanamide
CID 109036380
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide
CID 54809172
N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide
CID 109021579
N-(4-acetamidophenyl)-3-aminopropanamide
CID 22692055
N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide
CID 54818859
N-(2,6-dimethylphenyl)-3-(propylamino)propanamide
CID 59981693
methyl N-[4-[3-(ethylamino)propanoylamino]phenyl]carbamate
CID 62831983

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(propylamino)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(propylamino)propanamide (CID 109011595) is N-(4-acetamidophenyl)-3-(propylamino)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(propylamino)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(propylamino)propanamide is CCCNCCC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(propylamino)propanamide?
The InChIKey is RSGBTWNMZGKHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-9-15-10-8-14(19)17-13-6-4-12(5-7-13)16-11(2)18/h4-7,15H,3,8-10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-acetamidophenyl)-3-(propylamino)propanamide?
N-(4-acetamidophenyl)-3-(propylamino)propanamide has a molecular weight of 263.34 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(propylamino)propanamide is sourced from PubChem (CID 109011595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).