4-acetyl-N-(cyclohexylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

C16H24N2O2 — CID 2531339

IUPAC4-acetyl-N-(cyclohexylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C
InChIInChI=1S/C16H24N2O2/c1-10-14(12(3)19)11(2)18-15(10)16(20)17-9-13-7-5-4-6-8-13/h13,18H,4-9H2,1-3H3,(H,17,20)
InChIKeyZUHLZSPOVLZXQL-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.14
Rot. Bonds4

About 4-acetyl-N-(cyclohexylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-(cyclohexylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 2531339) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-acetyl-N-(cyclohexylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(cyclohexylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID2531339
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-acetyl-N-(cyclohexylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C
InChIInChI=1S/C16H24N2O2/c1-10-14(12(3)19)11(2)18-15(10)16(20)17-9-13-7-5-4-6-8-13/h13,18H,4-9H2,1-3H3,(H,17,20)
InChIKeyZUHLZSPOVLZXQL-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(cyclohexylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(cyclohexylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 2531339) is 4-acetyl-N-(cyclohexylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(cyclohexylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(cyclohexylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C.
What is the InChIKey of 4-acetyl-N-(cyclohexylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is ZUHLZSPOVLZXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-14(12(3)19)11(2)18-15(10)16(20)17-9-13-7-5-4-6-8-13/h13,18H,4-9H2,1-3H3,(H,17,20).
What are the key properties of 4-acetyl-N-(cyclohexylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-(cyclohexylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(cyclohexylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 2531339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).