(E)-2-methylhexadec-2-enamide

C17H33NO — CID 87240184

IUPAC(E)-2-methylhexadec-2-enamide
SMILESCCCCCCCCCCCCC/C=C(\C)C(N)=O
InChIInChI=1S/C17H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17(18)19/h15H,3-14H2,1-2H3,(H2,18,19)/b16-15+
InChIKeyHOFFQXKJOMMUBP-FOCLMDBBSA-N
MW267.46 g/mol
LogP5.12
Rot. Bonds13

About (E)-2-methylhexadec-2-enamide

(E)-2-methylhexadec-2-enamide (PubChem CID 87240184) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is (E)-2-methylhexadec-2-enamide.

Molecular Properties

Compound Name(E)-2-methylhexadec-2-enamide
PubChem CID87240184
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name(E)-2-methylhexadec-2-enamide
SMILESCCCCCCCCCCCCC/C=C(\C)C(N)=O
InChIInChI=1S/C17H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17(18)19/h15H,3-14H2,1-2H3,(H2,18,19)/b16-15+
InChIKeyHOFFQXKJOMMUBP-FOCLMDBBSA-N
XLogP5.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.46
LogP ≤ 55.12
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 (E)-2-methylhexadec-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

2-methylnonacos-2-enamide
CID 141002865
2-methylhept-2-enamide;hydrate
CID 172812574
(E)-2-methyl-8-propan-2-ylicos-2-enamide
CID 140652881
11-hydroxy-2-methylundec-2-enamide
CID 141296717
N-ethylethanamine;2-methylhept-2-enamide
CID 139534833
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide
CID 173350322
N-hexyl-N-methylprop-2-enamide;2-methylnon-2-enamide
CID 158002582
2-methylhex-2-enamide;hydrochloride
CID 141109029
(Z)-3-methylnon-3-en-2-one
CID 98567788

Frequently Asked Questions

What is the IUPAC name of (E)-2-methylhexadec-2-enamide?
The IUPAC name of (E)-2-methylhexadec-2-enamide (CID 87240184) is (E)-2-methylhexadec-2-enamide.
What is the SMILES notation for (E)-2-methylhexadec-2-enamide?
The canonical SMILES for (E)-2-methylhexadec-2-enamide is CCCCCCCCCCCCC/C=C(\C)C(N)=O.
What is the InChIKey of (E)-2-methylhexadec-2-enamide?
The InChIKey is HOFFQXKJOMMUBP-FOCLMDBBSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17(18)19/h15H,3-14H2,1-2H3,(H2,18,19)/b16-15+.
What are the key properties of (E)-2-methylhexadec-2-enamide?
(E)-2-methylhexadec-2-enamide has a molecular weight of 267.46 g/mol, XLogP of 5.12, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylhexadec-2-enamide is sourced from PubChem (CID 87240184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).