2-methyl-N-tetracosa-1,3-dienylprop-2-enamide

C28H51NO — CID 163255501

IUPAC2-methyl-N-tetracosa-1,3-dienylprop-2-enamide
SMILESC=C(C)C(=O)NC=CC=CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C28H51NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-28(30)27(2)3/h23-26H,2,4-22H2,1,3H3,(H,29,30)
InChIKeyJFCQBXKPFAANRH-UHFFFAOYSA-N
MW417.72 g/mol
LogP9.18
Rot. Bonds22

About 2-methyl-N-tetracosa-1,3-dienylprop-2-enamide

2-methyl-N-tetracosa-1,3-dienylprop-2-enamide (PubChem CID 163255501) has the molecular formula C28H51NO and a molecular weight of 417.72 g/mol. Its IUPAC name is 2-methyl-N-tetracosa-1,3-dienylprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-tetracosa-1,3-dienylprop-2-enamide
PubChem CID163255501
Molecular FormulaC28H51NO
Molecular Weight417.72 g/mol
Exact Mass417.40
IUPAC Name2-methyl-N-tetracosa-1,3-dienylprop-2-enamide
SMILESC=C(C)C(=O)NC=CC=CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C28H51NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-28(30)27(2)3/h23-26H,2,4-22H2,1,3H3,(H,29,30)
InChIKeyJFCQBXKPFAANRH-UHFFFAOYSA-N
XLogP9.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.72
LogP ≤ 59.18
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-methyl-N-tetracosa-1,3-dienylprop-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

N-docosa-1,3,5,7-tetraenyl-2-methylprop-2-enamide
CID 163255517
2-methyl-N-undec-1-enylprop-2-enamide
CID 91243426
N-[(E)-dec-1-enyl]acetamide
CID 87894534
tert-butyl N-[(1E,3E)-deca-1,3-dienyl]carbamate
CID 132585355
2-methyl-N-[(E)-undec-1-enoxy]prop-2-enamide
CID 102118207
2-methylprop-2-enoic acid;octadeca-9,11,13-trienoic acid
CID 174415565
octa-1,3-dienylcarbamothioic S-acid
CID 173191991
2-methyl-N-[(E)-non-2-enoxy]prop-2-enamide
CID 102118191
N-[(E)-dec-3-enoxy]-2-methylprop-2-enamide
CID 102118200
(22E)-heptatetraconta-22,24-diene
CID 56629131
nonadeca-9,11-dien-2-one
CID 76564066
tricosa-3,5,7,9,11,13-hexaen-2-one
CID 123320913

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-tetracosa-1,3-dienylprop-2-enamide?
The IUPAC name of 2-methyl-N-tetracosa-1,3-dienylprop-2-enamide (CID 163255501) is 2-methyl-N-tetracosa-1,3-dienylprop-2-enamide.
What is the SMILES notation for 2-methyl-N-tetracosa-1,3-dienylprop-2-enamide?
The canonical SMILES for 2-methyl-N-tetracosa-1,3-dienylprop-2-enamide is C=C(C)C(=O)NC=CC=CCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-methyl-N-tetracosa-1,3-dienylprop-2-enamide?
The InChIKey is JFCQBXKPFAANRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H51NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-28(30)27(2)3/h23-26H,2,4-22H2,1,3H3,(H,29,30).
What are the key properties of 2-methyl-N-tetracosa-1,3-dienylprop-2-enamide?
2-methyl-N-tetracosa-1,3-dienylprop-2-enamide has a molecular weight of 417.72 g/mol, XLogP of 9.18, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-tetracosa-1,3-dienylprop-2-enamide is sourced from PubChem (CID 163255501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).