4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide

C15H22N2O2 — CID 3241255

IUPAC4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NC2CCCCC2)c1C
InChIInChI=1S/C15H22N2O2/c1-9-13(11(3)18)10(2)16-14(9)15(19)17-12-7-5-4-6-8-12/h12,16H,4-8H2,1-3H3,(H,17,19)
InChIKeyGBBJATFRBUDAAP-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.90
Rot. Bonds3

About 4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 3241255) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID3241255
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NC2CCCCC2)c1C
InChIInChI=1S/C15H22N2O2/c1-9-13(11(3)18)10(2)16-14(9)15(19)17-12-7-5-4-6-8-12/h12,16H,4-8H2,1-3H3,(H,17,19)
InChIKeyGBBJATFRBUDAAP-UHFFFAOYSA-N
XLogP2.90
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 3241255) is 4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)NC2CCCCC2)c1C.
What is the InChIKey of 4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is GBBJATFRBUDAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9-13(11(3)18)10(2)16-14(9)15(19)17-12-7-5-4-6-8-12/h12,16H,4-8H2,1-3H3,(H,17,19).
What are the key properties of 4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3241255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).