4-acetyl-N-cyclohexyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

C16H24N2O2 — CID 3244637

IUPAC4-acetyl-N-cyclohexyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NC2CCCCC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C16H24N2O2/c1-4-13-14(11(3)19)10(2)17-15(13)16(20)18-12-8-6-5-7-9-12/h12,17H,4-9H2,1-3H3,(H,18,20)
InChIKeyAHMQQMOOOFQJCW-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.15
Rot. Bonds4

About 4-acetyl-N-cyclohexyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

4-acetyl-N-cyclohexyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 3244637) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-acetyl-N-cyclohexyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-cyclohexyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID3244637
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-acetyl-N-cyclohexyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NC2CCCCC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C16H24N2O2/c1-4-13-14(11(3)19)10(2)17-15(13)16(20)18-12-8-6-5-7-9-12/h12,17H,4-9H2,1-3H3,(H,18,20)
InChIKeyAHMQQMOOOFQJCW-UHFFFAOYSA-N
XLogP3.15
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.15
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-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-cyclohexyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (CID 3244637) is 4-acetyl-N-cyclohexyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-cyclohexyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-cyclohexyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)NC2CCCCC2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-N-cyclohexyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is AHMQQMOOOFQJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-13-14(11(3)19)10(2)17-15(13)16(20)18-12-8-6-5-7-9-12/h12,17H,4-9H2,1-3H3,(H,18,20).
What are the key properties of 4-acetyl-N-cyclohexyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-cyclohexyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 3.15, 4 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-ethyl-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3244637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).