(2E,4E,6R,8Z,10E,12R)-N-methoxy-N,6,12-trimethyltetradeca-2,4,8,10-tetraenamide

C18H29NO2 — CID 158828106

IUPAC(2E,4E,6R,8Z,10E,12R)-N-methoxy-N,6,12-trimethyltetradeca-2,4,8,10-tetraenamide
SMILESCC[C@@H](C)/C=C/C=C\C[C@@H](C)/C=C/C=C/C(=O)N(C)OC
InChIInChI=1S/C18H29NO2/c1-6-16(2)12-8-7-9-13-17(3)14-10-11-15-18(20)19(4)21-5/h7-12,14-17H,6,13H2,1-5H3/b9-7-,12-8+,14-10+,15-11+/t16-,17-/m1/s1
InChIKeyNACWEAVCBWNMBF-PPCHKXEHSA-N
MW291.44 g/mol
LogP4.30
Rot. Bonds9

About (2E,4E,6R,8Z,10E,12R)-N-methoxy-N,6,12-trimethyltetradeca-2,4,8,10-tetraenamide

(2E,4E,6R,8Z,10E,12R)-N-methoxy-N,6,12-trimethyltetradeca-2,4,8,10-tetraenamide (PubChem CID 158828106) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (2E,4E,6R,8Z,10E,12R)-N-methoxy-N,6,12-trimethyltetradeca-2,4,8,10-tetraenamide.

Molecular Properties

Compound Name(2E,4E,6R,8Z,10E,12R)-N-methoxy-N,6,12-trimethyltetradeca-2,4,8,10-tetraenamide
PubChem CID158828106
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(2E,4E,6R,8Z,10E,12R)-N-methoxy-N,6,12-trimethyltetradeca-2,4,8,10-tetraenamide
SMILESCC[C@@H](C)/C=C/C=C\C[C@@H](C)/C=C/C=C/C(=O)N(C)OC
InChIInChI=1S/C18H29NO2/c1-6-16(2)12-8-7-9-13-17(3)14-10-11-15-18(20)19(4)21-5/h7-12,14-17H,6,13H2,1-5H3/b9-7-,12-8+,14-10+,15-11+/t16-,17-/m1/s1
InChIKeyNACWEAVCBWNMBF-PPCHKXEHSA-N
XLogP4.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4E,6R,8Z,10E,12R)-N-methoxy-N,6,12-trimethyltetradeca-2,4,8,10-tetraenamide with MolForge

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Related Compounds

(E,5R,6S)-6-hydroxy-N-methoxy-N,5-dimethylhept-2-enamide
CID 58883196
(2E,4E)-N-methoxy-N-methyl-6-oxodeca-2,4-dienamide
CID 141437196
N-methoxy-N,2-dimethylbutanamide;2-methylbutanal
CID 160908077
1,1,1-trichloro-4-hydroxy-11-methyltrideca-3,5,7,9-tetraen-2-one
CID 140728335
(E,4S,5S)-5-hydroxy-N-methoxy-N,4,6-trimethylhept-2-enamide
CID 10036225
(2E,6E)-8-hydroxy-N-methoxy-N-methylocta-2,6-dienamide
CID 88883922
[(2Z,4E)-7-methylocta-2,4-dienoyl] (2Z,4E)-7-methylocta-2,4-dienoate
CID 11185384
(2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide
CID 89219272
(7Z,9Z,12Z,14E)-6-hydroxy-16-methyloctadeca-7,9,12,14-tetraenoate
CID 161329194
(E,4S)-N-methoxy-N,5-dimethyl-4-(nitromethyl)hex-2-enamide
CID 134942327
(2E,6E)-4,8-dimethyldeca-2,6-diene
CID 173250236
N-methoxy-N,3-dimethylbutanamide
CID 10975620

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6R,8Z,10E,12R)-N-methoxy-N,6,12-trimethyltetradeca-2,4,8,10-tetraenamide?
The IUPAC name of (2E,4E,6R,8Z,10E,12R)-N-methoxy-N,6,12-trimethyltetradeca-2,4,8,10-tetraenamide (CID 158828106) is (2E,4E,6R,8Z,10E,12R)-N-methoxy-N,6,12-trimethyltetradeca-2,4,8,10-tetraenamide.
What is the SMILES notation for (2E,4E,6R,8Z,10E,12R)-N-methoxy-N,6,12-trimethyltetradeca-2,4,8,10-tetraenamide?
The canonical SMILES for (2E,4E,6R,8Z,10E,12R)-N-methoxy-N,6,12-trimethyltetradeca-2,4,8,10-tetraenamide is CC[C@@H](C)/C=C/C=C\C[C@@H](C)/C=C/C=C/C(=O)N(C)OC.
What is the InChIKey of (2E,4E,6R,8Z,10E,12R)-N-methoxy-N,6,12-trimethyltetradeca-2,4,8,10-tetraenamide?
The InChIKey is NACWEAVCBWNMBF-PPCHKXEHSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-16(2)12-8-7-9-13-17(3)14-10-11-15-18(20)19(4)21-5/h7-12,14-17H,6,13H2,1-5H3/b9-7-,12-8+,14-10+,15-11+/t16-,17-/m1/s1.
What are the key properties of (2E,4E,6R,8Z,10E,12R)-N-methoxy-N,6,12-trimethyltetradeca-2,4,8,10-tetraenamide?
(2E,4E,6R,8Z,10E,12R)-N-methoxy-N,6,12-trimethyltetradeca-2,4,8,10-tetraenamide has a molecular weight of 291.44 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6R,8Z,10E,12R)-N-methoxy-N,6,12-trimethyltetradeca-2,4,8,10-tetraenamide is sourced from PubChem (CID 158828106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).