N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methylcyclohexane-1-carboxamide

C14H23N3O2 — CID 135112882

IUPACN-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)N(CCO)Cc2ncc[nH]2)CC1
InChIInChI=1S/C14H23N3O2/c1-11-2-4-12(5-3-11)14(19)17(8-9-18)10-13-15-6-7-16-13/h6-7,11-12,18H,2-5,8-10H2,1H3,(H,15,16)
InChIKeyPNQZNHWUSNLFGZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.56
Rot. Bonds5

About N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methylcyclohexane-1-carboxamide

N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 135112882) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methylcyclohexane-1-carboxamide
PubChem CID135112882
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)N(CCO)Cc2ncc[nH]2)CC1
InChIInChI=1S/C14H23N3O2/c1-11-2-4-12(5-3-11)14(19)17(8-9-18)10-13-15-6-7-16-13/h6-7,11-12,18H,2-5,8-10H2,1H3,(H,15,16)
InChIKeyPNQZNHWUSNLFGZ-UHFFFAOYSA-N
XLogP1.56
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methylcyclohexane-1-carboxamide (CID 135112882) is N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)N(CCO)Cc2ncc[nH]2)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is PNQZNHWUSNLFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-2-4-12(5-3-11)14(19)17(8-9-18)10-13-15-6-7-16-13/h6-7,11-12,18H,2-5,8-10H2,1H3,(H,15,16).
What are the key properties of N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methylcyclohexane-1-carboxamide?
N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 135112882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).