N-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide

C14H22N2O2 — CID 113241315

IUPACN-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCC2CCCC(O)C2)n1C
InChIInChI=1S/C14H22N2O2/c1-10-6-7-13(16(10)2)14(18)15-9-11-4-3-5-12(17)8-11/h6-7,11-12,17H,3-5,8-9H2,1-2H3,(H,15,18)
InChIKeyLWDSIFJJQGXLRV-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.61
Rot. Bonds3

About N-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide

N-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 113241315) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide
PubChem CID113241315
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCC2CCCC(O)C2)n1C
InChIInChI=1S/C14H22N2O2/c1-10-6-7-13(16(10)2)14(18)15-9-11-4-3-5-12(17)8-11/h6-7,11-12,17H,3-5,8-9H2,1-2H3,(H,15,18)
InChIKeyLWDSIFJJQGXLRV-UHFFFAOYSA-N
XLogP1.61
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 103733972
N-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide
CID 111459853
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 103691279
4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 106118907
3-bromo-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103707638
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 113241300
N-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 111460181
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide (CID 113241315) is N-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide is Cc1ccc(C(=O)NCC2CCCC(O)C2)n1C.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is LWDSIFJJQGXLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-6-7-13(16(10)2)14(18)15-9-11-4-3-5-12(17)8-11/h6-7,11-12,17H,3-5,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 113241315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).