4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide

C15H24N2O2 — CID 115151023

IUPAC4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1ccc[nH]1)C(=O)C1CCC(CCO)CC1
InChIInChI=1S/C15H24N2O2/c1-17(11-14-3-2-9-16-14)15(19)13-6-4-12(5-7-13)8-10-18/h2-3,9,12-13,16,18H,4-8,10-11H2,1H3
InChIKeyRTJVJHQFZSOLKK-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.16
Rot. Bonds5

About 4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide

4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 115151023) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID115151023
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1ccc[nH]1)C(=O)C1CCC(CCO)CC1
InChIInChI=1S/C15H24N2O2/c1-17(11-14-3-2-9-16-14)15(19)13-6-4-12(5-7-13)8-10-18/h2-3,9,12-13,16,18H,4-8,10-11H2,1H3
InChIKeyRTJVJHQFZSOLKK-UHFFFAOYSA-N
XLogP2.16
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methyl(1H-pyrrol-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 115165548
4-[methyl(1H-pyrrol-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 115149104
N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide
CID 115151025
N-[4-(2-hydroxyethyl)cyclohexyl]-3-(1H-pyrrol-2-yl)propanamide
CID 116817243
(3S)-1-(4-fluorobenzoyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)piperidine-3-carboxamide
CID 124507921
4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 115151021
N-cyclobutyl-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide
CID 115151010
4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54928756
ethane;N-(1H-imidazol-5-ylmethyl)-N-methylcyclobutanecarboxamide
CID 176952178
(1R)-2,2-difluoro-N,1-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxamide
CID 164639298
4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60847411
3-[(2-hydroxycyclopentyl)methyl]-1,2-dimethyl-1-(1H-pyrrol-2-ylmethyl)guanidine
CID 119155099

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide (CID 115151023) is 4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide is CN(Cc1ccc[nH]1)C(=O)C1CCC(CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is RTJVJHQFZSOLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(11-14-3-2-9-16-14)15(19)13-6-4-12(5-7-13)8-10-18/h2-3,9,12-13,16,18H,4-8,10-11H2,1H3.
What are the key properties of 4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide?
4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115151023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).