4-[2-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide

C17H27NO2 — CID 141326344

IUPAC4-[2-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCC(C2CC=CC=C2CO)CC1
InChIInChI=1S/C17H27NO2/c1-12(2)18-17(20)14-9-7-13(8-10-14)16-6-4-3-5-15(16)11-19/h3-5,12-14,16,19H,6-11H2,1-2H3,(H,18,20)
InChIKeyXMLOJKKAIXKQCT-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.81
Rot. Bonds4

About 4-[2-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide

4-[2-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 141326344) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID141326344
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-[2-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCC(C2CC=CC=C2CO)CC1
InChIInChI=1S/C17H27NO2/c1-12(2)18-17(20)14-9-7-13(8-10-14)16-6-4-3-5-15(16)11-19/h3-5,12-14,16,19H,6-11H2,1-2H3,(H,18,20)
InChIKeyXMLOJKKAIXKQCT-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[(E,2S,3R)-1,3-dihydroxyhex-4-en-2-yl]cyclohexane-1-carboxamide
CID 70946433
(1R,2S,5R)-N-[(3E)-3-ethenyl-2-hydroxyhexa-3,5-dienyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 143809594
N-(2-cyclohexa-1,3-dien-1-yl-2-hydroxyethyl)-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 167114109
4-hydroxy-N-[6-(6-methylcyclohexa-1,3-dien-1-yl)hexyl]cyclohex-2-ene-1-carboxamide
CID 169232106
N-dodecyl-4-(hydroxymethyl)-1,2-dimethylcyclohex-3-ene-1-carboxamide
CID 174409714
4-(hydroxymethyl)-N-tetradecylcyclohex-3-ene-1-carboxamide
CID 174416000
2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-propan-2-ylacetamide
CID 38030068
N-ethyl-7-[(1R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-2-en-1-yl]heptanamide
CID 60172668
2-(cyclohexen-1-yl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 65903558
2-[4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-propan-2-ylacetamide
CID 85500832
2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 112337532
N-(1-cyclohexyl-3-hydroxypropyl)cyclohex-3-ene-1-carboxamide
CID 112337984

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-[2-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide (CID 141326344) is 4-[2-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[2-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[2-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)NC(=O)C1CCC(C2CC=CC=C2CO)CC1.
What is the InChIKey of 4-[2-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is XMLOJKKAIXKQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)18-17(20)14-9-7-13(8-10-14)16-6-4-3-5-15(16)11-19/h3-5,12-14,16,19H,6-11H2,1-2H3,(H,18,20).
What are the key properties of 4-[2-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide?
4-[2-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 141326344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).