(2E,4Z,6Z)-6-[1-(3-methoxyphenyl)ethyl]-N,2,4-trimethylnona-2,4,6-trienamide

C21H29NO2 — CID 131997301

IUPAC(2E,4Z,6Z)-6-[1-(3-methoxyphenyl)ethyl]-N,2,4-trimethylnona-2,4,6-trienamide
SMILESCC/C=C(/C=C(C)\C=C(/C)C(=O)NC)C(C)c1cccc(OC)c1
InChIInChI=1S/C21H29NO2/c1-7-9-18(13-15(2)12-16(3)21(23)22-5)17(4)19-10-8-11-20(14-19)24-6/h8-14,17H,7H2,1-6H3,(H,22,23)/b15-13-,16-12+,18-9-
InChIKeySNWQUINXERQBKO-NRWCWGEBSA-N
MW327.47 g/mol
LogP4.77
Rot. Bonds7

About (2E,4Z,6Z)-6-[1-(3-methoxyphenyl)ethyl]-N,2,4-trimethylnona-2,4,6-trienamide

(2E,4Z,6Z)-6-[1-(3-methoxyphenyl)ethyl]-N,2,4-trimethylnona-2,4,6-trienamide (PubChem CID 131997301) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is (2E,4Z,6Z)-6-[1-(3-methoxyphenyl)ethyl]-N,2,4-trimethylnona-2,4,6-trienamide.

Molecular Properties

Compound Name(2E,4Z,6Z)-6-[1-(3-methoxyphenyl)ethyl]-N,2,4-trimethylnona-2,4,6-trienamide
PubChem CID131997301
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name(2E,4Z,6Z)-6-[1-(3-methoxyphenyl)ethyl]-N,2,4-trimethylnona-2,4,6-trienamide
SMILESCC/C=C(/C=C(C)\C=C(/C)C(=O)NC)C(C)c1cccc(OC)c1
InChIInChI=1S/C21H29NO2/c1-7-9-18(13-15(2)12-16(3)21(23)22-5)17(4)19-10-8-11-20(14-19)24-6/h8-14,17H,7H2,1-6H3,(H,22,23)/b15-13-,16-12+,18-9-
InChIKeySNWQUINXERQBKO-NRWCWGEBSA-N
XLogP4.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 83047977
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methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate
CID 67298001
N-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide
CID 138015024
N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride
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(Z)-N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(methylamino)-4-methylidenehex-2-enamide
CID 146207294
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
2-chloro-2-(3-methoxyphenyl)-N-methylacetamide
CID 10036152
2,3,3-trimethylbutan-2-yl (2S)-2-(3-methoxyphenyl)propanoate
CID 134966872
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbut-2-en-1-amine
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methyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate
CID 10590178

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6Z)-6-[1-(3-methoxyphenyl)ethyl]-N,2,4-trimethylnona-2,4,6-trienamide?
The IUPAC name of (2E,4Z,6Z)-6-[1-(3-methoxyphenyl)ethyl]-N,2,4-trimethylnona-2,4,6-trienamide (CID 131997301) is (2E,4Z,6Z)-6-[1-(3-methoxyphenyl)ethyl]-N,2,4-trimethylnona-2,4,6-trienamide.
What is the SMILES notation for (2E,4Z,6Z)-6-[1-(3-methoxyphenyl)ethyl]-N,2,4-trimethylnona-2,4,6-trienamide?
The canonical SMILES for (2E,4Z,6Z)-6-[1-(3-methoxyphenyl)ethyl]-N,2,4-trimethylnona-2,4,6-trienamide is CC/C=C(/C=C(C)\C=C(/C)C(=O)NC)C(C)c1cccc(OC)c1.
What is the InChIKey of (2E,4Z,6Z)-6-[1-(3-methoxyphenyl)ethyl]-N,2,4-trimethylnona-2,4,6-trienamide?
The InChIKey is SNWQUINXERQBKO-NRWCWGEBSA-N. The full InChI is InChI=1S/C21H29NO2/c1-7-9-18(13-15(2)12-16(3)21(23)22-5)17(4)19-10-8-11-20(14-19)24-6/h8-14,17H,7H2,1-6H3,(H,22,23)/b15-13-,16-12+,18-9-.
What are the key properties of (2E,4Z,6Z)-6-[1-(3-methoxyphenyl)ethyl]-N,2,4-trimethylnona-2,4,6-trienamide?
(2E,4Z,6Z)-6-[1-(3-methoxyphenyl)ethyl]-N,2,4-trimethylnona-2,4,6-trienamide has a molecular weight of 327.47 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z)-6-[1-(3-methoxyphenyl)ethyl]-N,2,4-trimethylnona-2,4,6-trienamide is sourced from PubChem (CID 131997301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).