N-(2-cyclohexa-1,3-dien-1-yl-2-hydroxyethyl)-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide

C20H33NO2 — CID 167114109

IUPACN-(2-cyclohexa-1,3-dien-1-yl-2-hydroxyethyl)-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C)(C)CC1C(=O)NCC(O)C1=CC=CCC1
InChIInChI=1S/C20H33NO2/c1-14(2)16-10-11-20(3,4)12-17(16)19(23)21-13-18(22)15-8-6-5-7-9-15/h5-6,8,14,16-18,22H,7,9-13H2,1-4H3,(H,21,23)
InChIKeyGCNRCCNADUIVFS-UHFFFAOYSA-N
MW319.49 g/mol
LogP3.84
Rot. Bonds5

About N-(2-cyclohexa-1,3-dien-1-yl-2-hydroxyethyl)-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide

N-(2-cyclohexa-1,3-dien-1-yl-2-hydroxyethyl)-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 167114109) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is N-(2-cyclohexa-1,3-dien-1-yl-2-hydroxyethyl)-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexa-1,3-dien-1-yl-2-hydroxyethyl)-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID167114109
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC NameN-(2-cyclohexa-1,3-dien-1-yl-2-hydroxyethyl)-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C)(C)CC1C(=O)NCC(O)C1=CC=CCC1
InChIInChI=1S/C20H33NO2/c1-14(2)16-10-11-20(3,4)12-17(16)19(23)21-13-18(22)15-8-6-5-7-9-15/h5-6,8,14,16-18,22H,7,9-13H2,1-4H3,(H,21,23)
InChIKeyGCNRCCNADUIVFS-UHFFFAOYSA-N
XLogP3.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexa-1,3-dien-1-yl-2-hydroxyethyl)-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-cyclohexa-1,3-dien-1-yl-2-hydroxyethyl)-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 167114109) is N-(2-cyclohexa-1,3-dien-1-yl-2-hydroxyethyl)-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-cyclohexa-1,3-dien-1-yl-2-hydroxyethyl)-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-cyclohexa-1,3-dien-1-yl-2-hydroxyethyl)-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide is CC(C)C1CCC(C)(C)CC1C(=O)NCC(O)C1=CC=CCC1.
What is the InChIKey of N-(2-cyclohexa-1,3-dien-1-yl-2-hydroxyethyl)-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is GCNRCCNADUIVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-14(2)16-10-11-20(3,4)12-17(16)19(23)21-13-18(22)15-8-6-5-7-9-15/h5-6,8,14,16-18,22H,7,9-13H2,1-4H3,(H,21,23).
What are the key properties of N-(2-cyclohexa-1,3-dien-1-yl-2-hydroxyethyl)-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide?
N-(2-cyclohexa-1,3-dien-1-yl-2-hydroxyethyl)-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 319.49 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-1,3-dien-1-yl-2-hydroxyethyl)-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 167114109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).