N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide

C20H31NO — CID 4115175

IUPACN-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCCCCCCCCNC(=O)C=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C20H31NO/c1-4-5-6-7-8-9-16-21-20(22)15-12-18-10-13-19(14-11-18)17(2)3/h10-15,17H,4-9,16H2,1-3H3,(H,21,22)
InChIKeyAQYVKBYZOWKVRG-UHFFFAOYSA-N
MW301.47 g/mol
LogP5.30
Rot. Bonds10

About N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide

N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 4115175) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID4115175
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC NameN-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCCCCCCCCNC(=O)C=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C20H31NO/c1-4-5-6-7-8-9-16-21-20(22)15-12-18-10-13-19(14-11-18)17(2)3/h10-15,17H,4-9,16H2,1-3H3,(H,21,22)
InChIKeyAQYVKBYZOWKVRG-UHFFFAOYSA-N
XLogP5.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.47
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-octyl-3-(4-propan-2-ylphenyl)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

(Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
CID 92971155
(E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide
CID 6159715
(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide
CID 6006406
3-(4-chlorophenyl)-N-decylprop-2-enamide
CID 4172877
(E)-3-(4-methylphenyl)-N-octylprop-2-enamide
CID 6042816
3-(4-methylphenyl)-N-octylprop-2-enamide
CID 4229517
(E)-3-(4-bromophenyl)-N-hexylprop-2-enamide
CID 6024199
3-(4-methylphenyl)-N-pentylprop-2-enamide
CID 3568321
methyl 4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butanoate
CID 102534511
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
(E)-N-but-3-enyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 113466047
N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2927461

Frequently Asked Questions

What is the IUPAC name of N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 4115175) is N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide is CCCCCCCCNC(=O)C=Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is AQYVKBYZOWKVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-4-5-6-7-8-9-16-21-20(22)15-12-18-10-13-19(14-11-18)17(2)3/h10-15,17H,4-9,16H2,1-3H3,(H,21,22).
What are the key properties of N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 301.47 g/mol, XLogP of 5.30, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 4115175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).