N-[4-(2-hydroxyethyl)cyclohexyl]-N-methyl-1H-pyrrole-3-carboxamide

C14H22N2O2 — CID 116817253

IUPACN-[4-(2-hydroxyethyl)cyclohexyl]-N-methyl-1H-pyrrole-3-carboxamide
SMILESCN(C(=O)c1cc[nH]c1)C1CCC(CCO)CC1
InChIInChI=1S/C14H22N2O2/c1-16(14(18)12-6-8-15-10-12)13-4-2-11(3-5-13)7-9-17/h6,8,10-11,13,15,17H,2-5,7,9H2,1H3
InChIKeyZWSYYYCSOGUMHO-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.03
Rot. Bonds4

About N-[4-(2-hydroxyethyl)cyclohexyl]-N-methyl-1H-pyrrole-3-carboxamide

N-[4-(2-hydroxyethyl)cyclohexyl]-N-methyl-1H-pyrrole-3-carboxamide (PubChem CID 116817253) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)cyclohexyl]-N-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)cyclohexyl]-N-methyl-1H-pyrrole-3-carboxamide
PubChem CID116817253
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[4-(2-hydroxyethyl)cyclohexyl]-N-methyl-1H-pyrrole-3-carboxamide
SMILESCN(C(=O)c1cc[nH]c1)C1CCC(CCO)CC1
InChIInChI=1S/C14H22N2O2/c1-16(14(18)12-6-8-15-10-12)13-4-2-11(3-5-13)7-9-17/h6,8,10-11,13,15,17H,2-5,7,9H2,1H3
InChIKeyZWSYYYCSOGUMHO-UHFFFAOYSA-N
XLogP2.03
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)cyclohexyl]-N-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)cyclohexyl]-N-methyl-1H-pyrrole-3-carboxamide (CID 116817253) is N-[4-(2-hydroxyethyl)cyclohexyl]-N-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)cyclohexyl]-N-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)cyclohexyl]-N-methyl-1H-pyrrole-3-carboxamide is CN(C(=O)c1cc[nH]c1)C1CCC(CCO)CC1.
What is the InChIKey of N-[4-(2-hydroxyethyl)cyclohexyl]-N-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is ZWSYYYCSOGUMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(14(18)12-6-8-15-10-12)13-4-2-11(3-5-13)7-9-17/h6,8,10-11,13,15,17H,2-5,7,9H2,1H3.
What are the key properties of N-[4-(2-hydroxyethyl)cyclohexyl]-N-methyl-1H-pyrrole-3-carboxamide?
N-[4-(2-hydroxyethyl)cyclohexyl]-N-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)cyclohexyl]-N-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 116817253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).