(E)-2,18-dimethylnonadec-2-enamide

C21H41NO — CID 144939555

IUPAC(E)-2,18-dimethylnonadec-2-enamide
SMILESC/C(=C\CCCCCCCCCCCCCCC(C)C)C(N)=O
InChIInChI=1S/C21H41NO/c1-19(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(3)21(22)23/h18-19H,4-17H2,1-3H3,(H2,22,23)/b20-18+
InChIKeyBYFHIMHIRJBKKS-CZIZESTLSA-N
MW323.57 g/mol
LogP6.54
Rot. Bonds16

About (E)-2,18-dimethylnonadec-2-enamide

(E)-2,18-dimethylnonadec-2-enamide (PubChem CID 144939555) has the molecular formula C21H41NO and a molecular weight of 323.57 g/mol. Its IUPAC name is (E)-2,18-dimethylnonadec-2-enamide.

Molecular Properties

Compound Name(E)-2,18-dimethylnonadec-2-enamide
PubChem CID144939555
Molecular FormulaC21H41NO
Molecular Weight323.57 g/mol
Exact Mass323.32
IUPAC Name(E)-2,18-dimethylnonadec-2-enamide
SMILESC/C(=C\CCCCCCCCCCCCCCC(C)C)C(N)=O
InChIInChI=1S/C21H41NO/c1-19(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(3)21(22)23/h18-19H,4-17H2,1-3H3,(H2,22,23)/b20-18+
InChIKeyBYFHIMHIRJBKKS-CZIZESTLSA-N
XLogP6.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.57
LogP ≤ 56.54
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'}

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Related Compounds

(E)-2,11-dimethyldodec-2-enamide
CID 88624041
(E)-2-methyl-8-propan-2-ylicos-2-enamide
CID 140652881
2-methylnonacos-2-enamide
CID 141002865
(E)-2-methylhexadec-2-enamide
CID 87240184
11-hydroxy-2-methylundec-2-enamide
CID 141296717
6-amino-2-methylhex-2-enamide
CID 54113800
2-methylhept-2-enamide;hydrate
CID 172812574
10-methylundec-3-en-2-one
CID 154192046
8-hydroxy-2-methylnon-2-enoic acid
CID 57087697
6,6-dimethoxy-2-methylhex-2-enamide
CID 91543963
2-methylhex-2-enamide;hydrochloride
CID 141109029
2-cyano-9-methyldec-2-enoic acid
CID 148548830

Frequently Asked Questions

What is the IUPAC name of (E)-2,18-dimethylnonadec-2-enamide?
The IUPAC name of (E)-2,18-dimethylnonadec-2-enamide (CID 144939555) is (E)-2,18-dimethylnonadec-2-enamide.
What is the SMILES notation for (E)-2,18-dimethylnonadec-2-enamide?
The canonical SMILES for (E)-2,18-dimethylnonadec-2-enamide is C/C(=C\CCCCCCCCCCCCCCC(C)C)C(N)=O.
What is the InChIKey of (E)-2,18-dimethylnonadec-2-enamide?
The InChIKey is BYFHIMHIRJBKKS-CZIZESTLSA-N. The full InChI is InChI=1S/C21H41NO/c1-19(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(3)21(22)23/h18-19H,4-17H2,1-3H3,(H2,22,23)/b20-18+.
What are the key properties of (E)-2,18-dimethylnonadec-2-enamide?
(E)-2,18-dimethylnonadec-2-enamide has a molecular weight of 323.57 g/mol, XLogP of 6.54, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,18-dimethylnonadec-2-enamide is sourced from PubChem (CID 144939555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).