(E)-2,11-dimethyldodec-2-enamide

C14H27NO — CID 88624041

IUPAC(E)-2,11-dimethyldodec-2-enamide
SMILESC/C(=C\CCCCCCCC(C)C)C(N)=O
InChIInChI=1S/C14H27NO/c1-12(2)10-8-6-4-5-7-9-11-13(3)14(15)16/h11-12H,4-10H2,1-3H3,(H2,15,16)/b13-11+
InChIKeyLKXRENJNPFQUSR-ACCUITESSA-N
MW225.38 g/mol
LogP3.80
Rot. Bonds9

About (E)-2,11-dimethyldodec-2-enamide

(E)-2,11-dimethyldodec-2-enamide (PubChem CID 88624041) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (E)-2,11-dimethyldodec-2-enamide.

Molecular Properties

Compound Name(E)-2,11-dimethyldodec-2-enamide
PubChem CID88624041
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(E)-2,11-dimethyldodec-2-enamide
SMILESC/C(=C\CCCCCCCC(C)C)C(N)=O
InChIInChI=1S/C14H27NO/c1-12(2)10-8-6-4-5-7-9-11-13(3)14(15)16/h11-12H,4-10H2,1-3H3,(H2,15,16)/b13-11+
InChIKeyLKXRENJNPFQUSR-ACCUITESSA-N
XLogP3.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.80
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)-2,18-dimethylnonadec-2-enamide
CID 144939555
(E)-2-methyl-8-propan-2-ylicos-2-enamide
CID 140652881
(E)-2-methylhexadec-2-enamide
CID 87240184
11-hydroxy-2-methylundec-2-enamide
CID 141296717
2-methylnonacos-2-enamide
CID 141002865
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)-2,11-dimethyldodec-2-enamide?
The IUPAC name of (E)-2,11-dimethyldodec-2-enamide (CID 88624041) is (E)-2,11-dimethyldodec-2-enamide.
What is the SMILES notation for (E)-2,11-dimethyldodec-2-enamide?
The canonical SMILES for (E)-2,11-dimethyldodec-2-enamide is C/C(=C\CCCCCCCC(C)C)C(N)=O.
What is the InChIKey of (E)-2,11-dimethyldodec-2-enamide?
The InChIKey is LKXRENJNPFQUSR-ACCUITESSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)10-8-6-4-5-7-9-11-13(3)14(15)16/h11-12H,4-10H2,1-3H3,(H2,15,16)/b13-11+.
What are the key properties of (E)-2,11-dimethyldodec-2-enamide?
(E)-2,11-dimethyldodec-2-enamide has a molecular weight of 225.38 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,11-dimethyldodec-2-enamide is sourced from PubChem (CID 88624041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).