N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide

C14H21N3O2 — CID 56759916

IUPACN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCn1ccnc1CN(CCO)C(=O)C1CC=CCC1
InChIInChI=1S/C14H21N3O2/c1-16-8-7-15-13(16)11-17(9-10-18)14(19)12-5-3-2-4-6-12/h2-3,7-8,12,18H,4-6,9-11H2,1H3
InChIKeyQJQIQCJXDQQVFH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.10
Rot. Bonds5

About N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide

N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 56759916) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID56759916
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCn1ccnc1CN(CCO)C(=O)C1CC=CCC1
InChIInChI=1S/C14H21N3O2/c1-16-8-7-15-13(16)11-17(9-10-18)14(19)12-5-3-2-4-6-12/h2-3,7-8,12,18H,4-6,9-11H2,1H3
InChIKeyQJQIQCJXDQQVFH-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 51079756
(1S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 95230512
N-[2-(1H-imidazol-1-yl)ethyl]-N-methylcyclopent-3-ene-1-carboxamide
CID 124209502
N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]cyclohex-3-ene-1-carboxamide
CID 47788986
2-[(1S)-cyclopent-2-en-1-yl]-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide
CID 52471412
2-[(1R)-cyclopent-2-en-1-yl]-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide
CID 52471414
2-cyclopent-2-en-1-yl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide
CID 53584862
(1R)-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide
CID 129474917
(1S)-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide
CID 129474918
2-cyclopent-2-en-1-yl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylacetamide
CID 133911007
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohex-3-ene-1-carboxamide
CID 133911052
N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylcyclohex-3-ene-1-carboxamide;2,2,2-trifluoroacetic acid
CID 154885313

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide (CID 56759916) is N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide is Cn1ccnc1CN(CCO)C(=O)C1CC=CCC1.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is QJQIQCJXDQQVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-8-7-15-13(16)11-17(9-10-18)14(19)12-5-3-2-4-6-12/h2-3,7-8,12,18H,4-6,9-11H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide?
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 56759916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).