2-methylidene-N-octyl-N-phenylundecanamide

C26H43NO — CID 54081211

IUPAC2-methylidene-N-octyl-N-phenylundecanamide
SMILESC=C(CCCCCCCCC)C(=O)N(CCCCCCCC)c1ccccc1
InChIInChI=1S/C26H43NO/c1-4-6-8-10-12-13-16-20-24(3)26(28)27(25-21-17-15-18-22-25)23-19-14-11-9-7-5-2/h15,17-18,21-22H,3-14,16,19-20,23H2,1-2H3
InChIKeyMNGCIKBKZZORKG-UHFFFAOYSA-N
MW385.64 g/mol
LogP8.08
Rot. Bonds17

About 2-methylidene-N-octyl-N-phenylundecanamide

2-methylidene-N-octyl-N-phenylundecanamide (PubChem CID 54081211) has the molecular formula C26H43NO and a molecular weight of 385.64 g/mol. Its IUPAC name is 2-methylidene-N-octyl-N-phenylundecanamide.

Molecular Properties

Compound Name2-methylidene-N-octyl-N-phenylundecanamide
PubChem CID54081211
Molecular FormulaC26H43NO
Molecular Weight385.64 g/mol
Exact Mass385.33
IUPAC Name2-methylidene-N-octyl-N-phenylundecanamide
SMILESC=C(CCCCCCCCC)C(=O)N(CCCCCCCC)c1ccccc1
InChIInChI=1S/C26H43NO/c1-4-6-8-10-12-13-16-20-24(3)26(28)27(25-21-17-15-18-22-25)23-19-14-11-9-7-5-2/h15,17-18,21-22H,3-14,16,19-20,23H2,1-2H3
InChIKeyMNGCIKBKZZORKG-UHFFFAOYSA-N
XLogP8.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.64
LogP ≤ 58.08
H-Bond Donors ≤ 50
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 2-methylidene-N-octyl-N-phenylundecanamide 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

octyl(phenyl)carbamic acid
CID 54301990
N-hexyl-N-phenylacetamide
CID 13217997
N-ethyl-N-phenyloctadecanamide
CID 151424183
3-(N-octanoylanilino)propanoic acid
CID 60831115
4-(N-butylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77047527
phenyl 2-methylidenenonanoate
CID 102083402
tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
N-butyl-N-phenylprop-2-enamide
CID 43619884
N,2-dimethyl-N-phenylprop-2-enamide;tridecane
CID 91328548
N-butyl-2,2,2-trichloro-N-phenylacetamide
CID 17256799
2-methyl-N-naphthalen-1-yl-N-tetradecylprop-2-enamide
CID 175049026

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-octyl-N-phenylundecanamide?
The IUPAC name of 2-methylidene-N-octyl-N-phenylundecanamide (CID 54081211) is 2-methylidene-N-octyl-N-phenylundecanamide.
What is the SMILES notation for 2-methylidene-N-octyl-N-phenylundecanamide?
The canonical SMILES for 2-methylidene-N-octyl-N-phenylundecanamide is C=C(CCCCCCCCC)C(=O)N(CCCCCCCC)c1ccccc1.
What is the InChIKey of 2-methylidene-N-octyl-N-phenylundecanamide?
The InChIKey is MNGCIKBKZZORKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO/c1-4-6-8-10-12-13-16-20-24(3)26(28)27(25-21-17-15-18-22-25)23-19-14-11-9-7-5-2/h15,17-18,21-22H,3-14,16,19-20,23H2,1-2H3.
What are the key properties of 2-methylidene-N-octyl-N-phenylundecanamide?
2-methylidene-N-octyl-N-phenylundecanamide has a molecular weight of 385.64 g/mol, XLogP of 8.08, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-octyl-N-phenylundecanamide is sourced from PubChem (CID 54081211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).