3-(2,4-dibutylphenyl)prop-2-enamide

C17H25NO — CID 175009231

IUPAC3-(2,4-dibutylphenyl)prop-2-enamide
SMILESCCCCc1ccc(C=CC(N)=O)c(CCCC)c1
InChIInChI=1S/C17H25NO/c1-3-5-7-14-9-10-15(11-12-17(18)19)16(13-14)8-6-4-2/h9-13H,3-8H2,1-2H3,(H2,18,19)
InChIKeyWFRAVKKADGQLIW-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.87
Rot. Bonds8

About 3-(2,4-dibutylphenyl)prop-2-enamide

3-(2,4-dibutylphenyl)prop-2-enamide (PubChem CID 175009231) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-(2,4-dibutylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,4-dibutylphenyl)prop-2-enamide
PubChem CID175009231
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-(2,4-dibutylphenyl)prop-2-enamide
SMILESCCCCc1ccc(C=CC(N)=O)c(CCCC)c1
InChIInChI=1S/C17H25NO/c1-3-5-7-14-9-10-15(11-12-17(18)19)16(13-14)8-6-4-2/h9-13H,3-8H2,1-2H3,(H2,18,19)
InChIKeyWFRAVKKADGQLIW-UHFFFAOYSA-N
XLogP3.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(2,4-dibutylphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dipentylbenzaldehyde
CID 19008550
(E)-3-[2,5-dibutyl-4-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid
CID 57408263
(2,4-dibutylphenyl)-phenylmethanone
CID 154224122
3-(2,4-dipropylphenyl)-1-(4-tetradecylphenyl)prop-2-ene-1-thione
CID 88620928
(E)-1-(2,5-dibutylphenyl)but-2-en-1-one
CID 174661217
(E)-3-[4-[2-(2,4-dibutylphenyl)propyl]phenyl]prop-2-enoic acid
CID 142130405
ethyl 2,5-dibutylbenzoate
CID 166059942
bis(2,4-dibutylphenyl) benzene-1,4-dicarboxylate
CID 70631476
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
2,4-dibutyl-1-chlorobenzene
CID 18417644
1,4-dibutyl-2-ethenylbenzene
CID 140596757
2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene
CID 134887709

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dibutylphenyl)prop-2-enamide?
The IUPAC name of 3-(2,4-dibutylphenyl)prop-2-enamide (CID 175009231) is 3-(2,4-dibutylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(2,4-dibutylphenyl)prop-2-enamide?
The canonical SMILES for 3-(2,4-dibutylphenyl)prop-2-enamide is CCCCc1ccc(C=CC(N)=O)c(CCCC)c1.
What is the InChIKey of 3-(2,4-dibutylphenyl)prop-2-enamide?
The InChIKey is WFRAVKKADGQLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-5-7-14-9-10-15(11-12-17(18)19)16(13-14)8-6-4-2/h9-13H,3-8H2,1-2H3,(H2,18,19).
What are the key properties of 3-(2,4-dibutylphenyl)prop-2-enamide?
3-(2,4-dibutylphenyl)prop-2-enamide has a molecular weight of 259.39 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dibutylphenyl)prop-2-enamide is sourced from PubChem (CID 175009231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).