(4R)-4-hydroxy-N-methyldodec-2-enamide

C13H25NO2 — CID 170984075

IUPAC(4R)-4-hydroxy-N-methyldodec-2-enamide
SMILESCCCCCCCC[C@@H](O)C=CC(=O)NC
InChIInChI=1S/C13H25NO2/c1-3-4-5-6-7-8-9-12(15)10-11-13(16)14-2/h10-12,15H,3-9H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeyISJJDYSHLWYHRD-GFCCVEGCSA-N
MW227.35 g/mol
LogP2.40
Rot. Bonds9

About (4R)-4-hydroxy-N-methyldodec-2-enamide

(4R)-4-hydroxy-N-methyldodec-2-enamide (PubChem CID 170984075) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (4R)-4-hydroxy-N-methyldodec-2-enamide.

Molecular Properties

Compound Name(4R)-4-hydroxy-N-methyldodec-2-enamide
PubChem CID170984075
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(4R)-4-hydroxy-N-methyldodec-2-enamide
SMILESCCCCCCCC[C@@H](O)C=CC(=O)NC
InChIInChI=1S/C13H25NO2/c1-3-4-5-6-7-8-9-12(15)10-11-13(16)14-2/h10-12,15H,3-9H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeyISJJDYSHLWYHRD-GFCCVEGCSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide
CID 73804405
(E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide
CID 162925995
(2E,4E,14Z)-6-hydroxy-N-isobutyl-icosa-2,4,14-trienamide
CID 86573562
(E)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide
CID 21580215
(E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide
CID 11830847
2-Hydroxy-5-(1-hydroxyhexyl)pyridine
CID 21280493
4-(1-hydroxyheptyl)-1H-pyridin-2-one
CID 160600911
5-(1-hydroxyheptyl)-1H-pyridin-2-one
CID 160732859
6-hydroxy-N-propyldeca-2,4-dienamide
CID 167499548
4-hydroxy-N-methyldodec-2-enamide
CID 170984074
4-Hydroxynon-2-enamide
CID 173290647
(E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-enamide
CID 10060932

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-N-methyldodec-2-enamide?
The IUPAC name of (4R)-4-hydroxy-N-methyldodec-2-enamide (CID 170984075) is (4R)-4-hydroxy-N-methyldodec-2-enamide.
What is the SMILES notation for (4R)-4-hydroxy-N-methyldodec-2-enamide?
The canonical SMILES for (4R)-4-hydroxy-N-methyldodec-2-enamide is CCCCCCCC[C@@H](O)C=CC(=O)NC.
What is the InChIKey of (4R)-4-hydroxy-N-methyldodec-2-enamide?
The InChIKey is ISJJDYSHLWYHRD-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-4-5-6-7-8-9-12(15)10-11-13(16)14-2/h10-12,15H,3-9H2,1-2H3,(H,14,16)/t12-/m1/s1.
What are the key properties of (4R)-4-hydroxy-N-methyldodec-2-enamide?
(4R)-4-hydroxy-N-methyldodec-2-enamide has a molecular weight of 227.35 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-N-methyldodec-2-enamide is sourced from PubChem (CID 170984075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).