(E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide

C15H29NO3 — CID 10683549

IUPAC(E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide
SMILESCCCCCCC(O)CCC/C=C/C(=O)N(C)OC
InChIInChI=1S/C15H29NO3/c1-4-5-6-8-11-14(17)12-9-7-10-13-15(18)16(2)19-3/h10,13-14,17H,4-9,11-12H2,1-3H3/b13-10+
InChIKeyYUVVOFRSBAEPMQ-JLHYYAGUSA-N
MW271.40 g/mol
LogP3.06
Rot. Bonds11

About (E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide

(E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide (PubChem CID 10683549) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is (E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide.

Molecular Properties

Compound Name(E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide
PubChem CID10683549
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name(E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide
SMILESCCCCCCC(O)CCC/C=C/C(=O)N(C)OC
InChIInChI=1S/C15H29NO3/c1-4-5-6-8-11-14(17)12-9-7-10-13-15(18)16(2)19-3/h10,13-14,17H,4-9,11-12H2,1-3H3/b13-10+
InChIKeyYUVVOFRSBAEPMQ-JLHYYAGUSA-N
XLogP3.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E,4S)-4-hydroxy-N-methoxy-N-methylnon-2-enamide
CID 11830847
(E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyldec-2-enamide
CID 134859320
magnesium;(Z,4R,7R)-7-hydroxy-1-[methoxy(methyl)amino]-1-oxooct-2-en-4-olate;bromide
CID 134860902
(E,5R)-5-hydroxy-N-methoxy-N-methyloct-2-enamide
CID 49781847
(E)-4-[(1S,3S)-3-hydroxycyclopentyl]-N-methoxy-N-methylbut-2-enamide
CID 10822479
(2Z,4E,11S)-11-hydroxy-N-methoxy-N-methyldodeca-2,4-dienamide
CID 24755027
(E,5R)-5-hydroxy-N-methoxy-N-methyldodec-2-enamide
CID 46211276
(E)-3-(1-hydroxyprop-2-enyl)-N,N-dimethylnon-2-enamide
CID 101613973
(Z,4R,7R)-4,7-dihydroxy-N-methoxy-N-methyloct-2-enamide
CID 134860903

Frequently Asked Questions

What is the IUPAC name of (E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide?
The IUPAC name of (E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide (CID 10683549) is (E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide.
What is the SMILES notation for (E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide?
The canonical SMILES for (E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide is CCCCCCC(O)CCC/C=C/C(=O)N(C)OC.
What is the InChIKey of (E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide?
The InChIKey is YUVVOFRSBAEPMQ-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-5-6-8-11-14(17)12-9-7-10-13-15(18)16(2)19-3/h10,13-14,17H,4-9,11-12H2,1-3H3/b13-10+.
What are the key properties of (E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide?
(E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide has a molecular weight of 271.40 g/mol, XLogP of 3.06, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-hydroxy-N-methoxy-N-methyltridec-2-enamide is sourced from PubChem (CID 10683549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).