N-[(3E,5Z)-2-hydroxy-3-methylhepta-3,5-dienyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide

C20H35NO2 — CID 146259540

IUPACN-[(3E,5Z)-2-hydroxy-3-methylhepta-3,5-dienyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESC/C=C\C=C(/C)C(O)CNC(=O)C1CC(C)(C)CCC1C(C)C
InChIInChI=1S/C20H35NO2/c1-7-8-9-15(4)18(22)13-21-19(23)17-12-20(5,6)11-10-16(17)14(2)3/h7-9,14,16-18,22H,10-13H2,1-6H3,(H,21,23)/b8-7-,15-9+
InChIKeyPOVKTYCJCZJMBS-USTJKHOZSA-N
MW321.50 g/mol
LogP4.08
Rot. Bonds6

About N-[(3E,5Z)-2-hydroxy-3-methylhepta-3,5-dienyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide

N-[(3E,5Z)-2-hydroxy-3-methylhepta-3,5-dienyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 146259540) has the molecular formula C20H35NO2 and a molecular weight of 321.50 g/mol. Its IUPAC name is N-[(3E,5Z)-2-hydroxy-3-methylhepta-3,5-dienyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3E,5Z)-2-hydroxy-3-methylhepta-3,5-dienyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID146259540
Molecular FormulaC20H35NO2
Molecular Weight321.50 g/mol
Exact Mass321.27
IUPAC NameN-[(3E,5Z)-2-hydroxy-3-methylhepta-3,5-dienyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESC/C=C\C=C(/C)C(O)CNC(=O)C1CC(C)(C)CCC1C(C)C
InChIInChI=1S/C20H35NO2/c1-7-8-9-15(4)18(22)13-21-19(23)17-12-20(5,6)11-10-16(17)14(2)3/h7-9,14,16-18,22H,10-13H2,1-6H3,(H,21,23)/b8-7-,15-9+
InChIKeyPOVKTYCJCZJMBS-USTJKHOZSA-N
XLogP4.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.50
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 122582300
N-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 135228535
5,5-dimethyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 122582438
5,5-dimethyl-N-(2-oxooxolan-3-yl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 122582304
N-[(3E,5Z)-2-amino-3-methylhepta-3,5-dienyl]-2,5-dimethylcyclohexane-1-carboxamide
CID 145300627
methyl 2-[(5,5-dimethyl-2-propan-2-ylcyclohexanecarbonyl)amino]benzoate
CID 122582383
1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane
CID 18735015
N-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103838536
(1R)-5,5-dimethyl-2-propan-2-ylcyclohexan-1-ol
CID 134302475
(3S)-3-amino-N-(2-hydroxy-2-phenylethyl)-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 163530533
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 169225329
5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 134223782

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-2-hydroxy-3-methylhepta-3,5-dienyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[(3E,5Z)-2-hydroxy-3-methylhepta-3,5-dienyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 146259540) is N-[(3E,5Z)-2-hydroxy-3-methylhepta-3,5-dienyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3E,5Z)-2-hydroxy-3-methylhepta-3,5-dienyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(3E,5Z)-2-hydroxy-3-methylhepta-3,5-dienyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide is C/C=C\C=C(/C)C(O)CNC(=O)C1CC(C)(C)CCC1C(C)C.
What is the InChIKey of N-[(3E,5Z)-2-hydroxy-3-methylhepta-3,5-dienyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is POVKTYCJCZJMBS-USTJKHOZSA-N. The full InChI is InChI=1S/C20H35NO2/c1-7-8-9-15(4)18(22)13-21-19(23)17-12-20(5,6)11-10-16(17)14(2)3/h7-9,14,16-18,22H,10-13H2,1-6H3,(H,21,23)/b8-7-,15-9+.
What are the key properties of N-[(3E,5Z)-2-hydroxy-3-methylhepta-3,5-dienyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
N-[(3E,5Z)-2-hydroxy-3-methylhepta-3,5-dienyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 321.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-2-hydroxy-3-methylhepta-3,5-dienyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 146259540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).