5-acetyl-2,4-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrrole-3-carboxamide

C16H20N2O3 — CID 90651281

IUPAC5-acetyl-2,4-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrrole-3-carboxamide
SMILESCC(=O)c1[nH]c(C)c(C(=O)NCCc2ccc(C)o2)c1C
InChIInChI=1S/C16H20N2O3/c1-9-5-6-13(21-9)7-8-17-16(20)14-10(2)15(12(4)19)18-11(14)3/h5-6,18H,7-8H2,1-4H3,(H,17,20)
InChIKeyPLPXYWFOPIKVTM-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.71
Rot. Bonds5

About 5-acetyl-2,4-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrrole-3-carboxamide

5-acetyl-2,4-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrrole-3-carboxamide (PubChem CID 90651281) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-acetyl-2,4-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-2,4-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrrole-3-carboxamide
PubChem CID90651281
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-acetyl-2,4-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrrole-3-carboxamide
SMILESCC(=O)c1[nH]c(C)c(C(=O)NCCc2ccc(C)o2)c1C
InChIInChI=1S/C16H20N2O3/c1-9-5-6-13(21-9)7-8-17-16(20)14-10(2)15(12(4)19)18-11(14)3/h5-6,18H,7-8H2,1-4H3,(H,17,20)
InChIKeyPLPXYWFOPIKVTM-UHFFFAOYSA-N
XLogP2.71
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 22518846
1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one
CID 115235079
5-acetyl-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 91792727
5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246100
5-acetyl-2,4-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 91789541
3,5-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]-1H-pyrrole-2-carboxylic acid
CID 106406185
5-acetyl-2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrrole-3-carboxamide
CID 118787005
5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 50974704
5-acetyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 131920266
5-acetyl-2,4-dimethyl-N-[(4-phenyloxan-4-yl)methyl]-1H-pyrrole-3-carboxamide
CID 118767842
5-acetyl-2,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-1H-pyrrole-3-carboxamide
CID 95123200
4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 18136913

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2,4-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-acetyl-2,4-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrrole-3-carboxamide (CID 90651281) is 5-acetyl-2,4-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-acetyl-2,4-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-acetyl-2,4-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrrole-3-carboxamide is CC(=O)c1[nH]c(C)c(C(=O)NCCc2ccc(C)o2)c1C.
What is the InChIKey of 5-acetyl-2,4-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrrole-3-carboxamide?
The InChIKey is PLPXYWFOPIKVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-9-5-6-13(21-9)7-8-17-16(20)14-10(2)15(12(4)19)18-11(14)3/h5-6,18H,7-8H2,1-4H3,(H,17,20).
What are the key properties of 5-acetyl-2,4-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrrole-3-carboxamide?
5-acetyl-2,4-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2,4-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 90651281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).