(E)-N-benzylhexadec-4-enamide

C23H37NO — CID 175178729

IUPAC(E)-N-benzylhexadec-4-enamide
SMILESCCCCCCCCCCC/C=C/CCC(=O)NCc1ccccc1
InChIInChI=1S/C23H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)24-21-22-18-15-14-16-19-22/h12-16,18-19H,2-11,17,20-21H2,1H3,(H,24,25)/b13-12+
InChIKeyQQVMQCQTNAVYAL-OUKQBFOZSA-N
MW343.56 g/mol
LogP6.56
Rot. Bonds15

About (E)-N-benzylhexadec-4-enamide

(E)-N-benzylhexadec-4-enamide (PubChem CID 175178729) has the molecular formula C23H37NO and a molecular weight of 343.56 g/mol. Its IUPAC name is (E)-N-benzylhexadec-4-enamide.

Molecular Properties

Compound Name(E)-N-benzylhexadec-4-enamide
PubChem CID175178729
Molecular FormulaC23H37NO
Molecular Weight343.56 g/mol
Exact Mass343.29
IUPAC Name(E)-N-benzylhexadec-4-enamide
SMILESCCCCCCCCCCC/C=C/CCC(=O)NCc1ccccc1
InChIInChI=1S/C23H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)24-21-22-18-15-14-16-19-22/h12-16,18-19H,2-11,17,20-21H2,1H3,(H,24,25)/b13-12+
InChIKeyQQVMQCQTNAVYAL-OUKQBFOZSA-N
XLogP6.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyldocos-13-enamide;hydrochloride
CID 173286408
(E)-N-benzyl-9-oxooctadec-12-enamide
CID 174776077
N-benzylundecanamide
CID 5078198
(E)-N-benzyloct-3-enamide
CID 14875642
(11Z)-2-(benzylamino)icosa-1,11-dien-3-one;hydrochloride
CID 174388614
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
(9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide
CID 162516977
N-[(3-methoxyphenyl)methyl]octadec-9-enamide
CID 86237122
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-benzyl-6-oxohexanamide
CID 172715262
N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide
CID 74954423
N-phenyldocos-13-enamide
CID 54224492

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzylhexadec-4-enamide?
The IUPAC name of (E)-N-benzylhexadec-4-enamide (CID 175178729) is (E)-N-benzylhexadec-4-enamide.
What is the SMILES notation for (E)-N-benzylhexadec-4-enamide?
The canonical SMILES for (E)-N-benzylhexadec-4-enamide is CCCCCCCCCCC/C=C/CCC(=O)NCc1ccccc1.
What is the InChIKey of (E)-N-benzylhexadec-4-enamide?
The InChIKey is QQVMQCQTNAVYAL-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)24-21-22-18-15-14-16-19-22/h12-16,18-19H,2-11,17,20-21H2,1H3,(H,24,25)/b13-12+.
What are the key properties of (E)-N-benzylhexadec-4-enamide?
(E)-N-benzylhexadec-4-enamide has a molecular weight of 343.56 g/mol, XLogP of 6.56, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzylhexadec-4-enamide is sourced from PubChem (CID 175178729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).