4-hydroxy-N-[6-(6-methylcyclohexa-1,3-dien-1-yl)hexyl]cyclohex-2-ene-1-carboxamide

C20H31NO2 — CID 169232106

IUPAC4-hydroxy-N-[6-(6-methylcyclohexa-1,3-dien-1-yl)hexyl]cyclohex-2-ene-1-carboxamide
SMILESCC1CC=CC=C1CCCCCCNC(=O)C1C=CC(O)CC1
InChIInChI=1S/C20H31NO2/c1-16-8-5-6-10-17(16)9-4-2-3-7-15-21-20(23)18-11-13-19(22)14-12-18/h5-6,10-11,13,16,18-19,22H,2-4,7-9,12,14-15H2,1H3,(H,21,23)
InChIKeyOMSIHJJPXWBSSO-UHFFFAOYSA-N
MW317.47 g/mol
LogP3.90
Rot. Bonds8

About 4-hydroxy-N-[6-(6-methylcyclohexa-1,3-dien-1-yl)hexyl]cyclohex-2-ene-1-carboxamide

4-hydroxy-N-[6-(6-methylcyclohexa-1,3-dien-1-yl)hexyl]cyclohex-2-ene-1-carboxamide (PubChem CID 169232106) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 4-hydroxy-N-[6-(6-methylcyclohexa-1,3-dien-1-yl)hexyl]cyclohex-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[6-(6-methylcyclohexa-1,3-dien-1-yl)hexyl]cyclohex-2-ene-1-carboxamide
PubChem CID169232106
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name4-hydroxy-N-[6-(6-methylcyclohexa-1,3-dien-1-yl)hexyl]cyclohex-2-ene-1-carboxamide
SMILESCC1CC=CC=C1CCCCCCNC(=O)C1C=CC(O)CC1
InChIInChI=1S/C20H31NO2/c1-16-8-5-6-10-17(16)9-4-2-3-7-15-21-20(23)18-11-13-19(22)14-12-18/h5-6,10-11,13,16,18-19,22H,2-4,7-9,12,14-15H2,1H3,(H,21,23)
InChIKeyOMSIHJJPXWBSSO-UHFFFAOYSA-N
XLogP3.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[6-(6-methylcyclohexa-1,3-dien-1-yl)hexyl]cyclohex-2-ene-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[6-(6-methylcyclohexa-1,3-dien-1-yl)hexyl]cyclohex-2-ene-1-carboxamide (CID 169232106) is 4-hydroxy-N-[6-(6-methylcyclohexa-1,3-dien-1-yl)hexyl]cyclohex-2-ene-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[6-(6-methylcyclohexa-1,3-dien-1-yl)hexyl]cyclohex-2-ene-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[6-(6-methylcyclohexa-1,3-dien-1-yl)hexyl]cyclohex-2-ene-1-carboxamide is CC1CC=CC=C1CCCCCCNC(=O)C1C=CC(O)CC1.
What is the InChIKey of 4-hydroxy-N-[6-(6-methylcyclohexa-1,3-dien-1-yl)hexyl]cyclohex-2-ene-1-carboxamide?
The InChIKey is OMSIHJJPXWBSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-16-8-5-6-10-17(16)9-4-2-3-7-15-21-20(23)18-11-13-19(22)14-12-18/h5-6,10-11,13,16,18-19,22H,2-4,7-9,12,14-15H2,1H3,(H,21,23).
What are the key properties of 4-hydroxy-N-[6-(6-methylcyclohexa-1,3-dien-1-yl)hexyl]cyclohex-2-ene-1-carboxamide?
4-hydroxy-N-[6-(6-methylcyclohexa-1,3-dien-1-yl)hexyl]cyclohex-2-ene-1-carboxamide has a molecular weight of 317.47 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[6-(6-methylcyclohexa-1,3-dien-1-yl)hexyl]cyclohex-2-ene-1-carboxamide is sourced from PubChem (CID 169232106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).