(10E,12E)-N-benzyl-5-oxotetradeca-10,12-dienamide

C21H29NO2 — CID 102423715

IUPAC(10E,12E)-N-benzyl-5-oxotetradeca-10,12-dienamide
SMILESC/C=C/C=C/CCCCC(=O)CCCC(=O)NCc1ccccc1
InChIInChI=1S/C21H29NO2/c1-2-3-4-5-6-7-11-15-20(23)16-12-17-21(24)22-18-19-13-9-8-10-14-19/h2-5,8-10,13-14H,6-7,11-12,15-18H2,1H3,(H,22,24)/b3-2+,5-4+
InChIKeyLIRMGYHGKWDKBQ-MQQKCMAXSA-N
MW327.47 g/mol
LogP4.73
Rot. Bonds12

About (10E,12E)-N-benzyl-5-oxotetradeca-10,12-dienamide

(10E,12E)-N-benzyl-5-oxotetradeca-10,12-dienamide (PubChem CID 102423715) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is (10E,12E)-N-benzyl-5-oxotetradeca-10,12-dienamide.

Molecular Properties

Compound Name(10E,12E)-N-benzyl-5-oxotetradeca-10,12-dienamide
PubChem CID102423715
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name(10E,12E)-N-benzyl-5-oxotetradeca-10,12-dienamide
SMILESC/C=C/C=C/CCCCC(=O)CCCC(=O)NCc1ccccc1
InChIInChI=1S/C21H29NO2/c1-2-3-4-5-6-7-11-15-20(23)16-12-17-21(24)22-18-19-13-9-8-10-14-19/h2-5,8-10,13-14H,6-7,11-12,15-18H2,1H3,(H,22,24)/b3-2+,5-4+
InChIKeyLIRMGYHGKWDKBQ-MQQKCMAXSA-N
XLogP4.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (10E,12E)-N-benzyl-5-oxotetradeca-10,12-dienamide 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

(E)-N-benzyl-9-oxooctadec-12-enamide
CID 174776077
N-benzyldocos-13-enamide;hydrochloride
CID 173286408
N-benzyl-6-oxohexanamide
CID 172715262
(E)-N-benzylhexadec-4-enamide
CID 175178729
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N-benzylundecanamide
CID 5078198
(2E,4E)-N-benzylhexa-2,4-dienamide
CID 15743128
N-benzyl-3-chloropropanamide
CID 10391
(E)-N-benzyloct-3-enamide
CID 14875642
5-oxo-N-(2-phenylethyl)octanamide
CID 90063979
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
4-amino-N-[2-(benzylamino)-2-oxoethyl]butanamide
CID 54881613

Frequently Asked Questions

What is the IUPAC name of (10E,12E)-N-benzyl-5-oxotetradeca-10,12-dienamide?
The IUPAC name of (10E,12E)-N-benzyl-5-oxotetradeca-10,12-dienamide (CID 102423715) is (10E,12E)-N-benzyl-5-oxotetradeca-10,12-dienamide.
What is the SMILES notation for (10E,12E)-N-benzyl-5-oxotetradeca-10,12-dienamide?
The canonical SMILES for (10E,12E)-N-benzyl-5-oxotetradeca-10,12-dienamide is C/C=C/C=C/CCCCC(=O)CCCC(=O)NCc1ccccc1.
What is the InChIKey of (10E,12E)-N-benzyl-5-oxotetradeca-10,12-dienamide?
The InChIKey is LIRMGYHGKWDKBQ-MQQKCMAXSA-N. The full InChI is InChI=1S/C21H29NO2/c1-2-3-4-5-6-7-11-15-20(23)16-12-17-21(24)22-18-19-13-9-8-10-14-19/h2-5,8-10,13-14H,6-7,11-12,15-18H2,1H3,(H,22,24)/b3-2+,5-4+.
What are the key properties of (10E,12E)-N-benzyl-5-oxotetradeca-10,12-dienamide?
(10E,12E)-N-benzyl-5-oxotetradeca-10,12-dienamide has a molecular weight of 327.47 g/mol, XLogP of 4.73, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10E,12E)-N-benzyl-5-oxotetradeca-10,12-dienamide is sourced from PubChem (CID 102423715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).