N-(3-hydroxypropyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide

C13H23NO2 — CID 61040047

IUPACN-(3-hydroxypropyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide
SMILESCC(C)N(CCCO)C(=O)C1CC=CCC1
InChIInChI=1S/C13H23NO2/c1-11(2)14(9-6-10-15)13(16)12-7-4-3-5-8-12/h3-4,11-12,15H,5-10H2,1-2H3
InChIKeyNRUAQVGWTDPDPE-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.96
Rot. Bonds5

About N-(3-hydroxypropyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide

N-(3-hydroxypropyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide (PubChem CID 61040047) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide
PubChem CID61040047
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(3-hydroxypropyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide
SMILESCC(C)N(CCCO)C(=O)C1CC=CCC1
InChIInChI=1S/C13H23NO2/c1-11(2)14(9-6-10-15)13(16)12-7-4-3-5-8-12/h3-4,11-12,15H,5-10H2,1-2H3
InChIKeyNRUAQVGWTDPDPE-UHFFFAOYSA-N
XLogP1.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclohex-3-en-1-yl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 112421478
N,N-di(propan-2-yl)cyclohex-3-ene-1-carboxamide
CID 13197542
(4aS,8aR)-2-(3-hydroxypropyl)-1,4,4a,5,8,8a-hexahydroisoquinolin-3-one
CID 134918072
N,N-bis(1-hydroxyethyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
CID 57106302
N-(2-hydroxyethyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 60740028
N,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide
CID 61234886
N-[(2S)-1-hydroxypropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 65808408
N-[(2R)-1-hydroxypropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 79030595
N-(3-hydroxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide
CID 81649464
3-methyl-N-(6-methylcyclohex-2-en-1-yl)-N-(2-oxoethyl)pentanamide
CID 89058296
N,N-bis(2-hydroxyethyl)-3,7-dimethyloct-6-enamide
CID 91219495
3-hydroxy-N-methyl-N-(5-methyl-2-oxonon-7-en-3-yl)butanamide
CID 123469888

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide (CID 61040047) is N-(3-hydroxypropyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide is CC(C)N(CCCO)C(=O)C1CC=CCC1.
What is the InChIKey of N-(3-hydroxypropyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide?
The InChIKey is NRUAQVGWTDPDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(2)14(9-6-10-15)13(16)12-7-4-3-5-8-12/h3-4,11-12,15H,5-10H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide?
N-(3-hydroxypropyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-propan-2-ylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 61040047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).