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

C17H20N2O2 — CID 867003

IUPAC4-acetyl-3,5-dimethyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCCc2ccccc2)c1C
InChIInChI=1S/C17H20N2O2/c1-11-15(13(3)20)12(2)19-16(11)17(21)18-10-9-14-7-5-4-6-8-14/h4-8,19H,9-10H2,1-3H3,(H,18,21)
InChIKeySKOOSUKEULZCJT-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.81
Rot. Bonds5

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

4-acetyl-3,5-dimethyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide (PubChem CID 867003) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
PubChem CID867003
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-acetyl-3,5-dimethyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCCc2ccccc2)c1C
InChIInChI=1S/C17H20N2O2/c1-11-15(13(3)20)12(2)19-16(11)17(21)18-10-9-14-7-5-4-6-8-14/h4-8,19H,9-10H2,1-3H3,(H,18,21)
InChIKeySKOOSUKEULZCJT-UHFFFAOYSA-N
XLogP2.81
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide (CID 867003) is 4-acetyl-3,5-dimethyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)NCCc2ccccc2)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is SKOOSUKEULZCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-15(13(3)20)12(2)19-16(11)17(21)18-10-9-14-7-5-4-6-8-14/h4-8,19H,9-10H2,1-3H3,(H,18,21).
What are the key properties of 4-acetyl-3,5-dimethyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,5-dimethyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 867003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).