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

C19H27N3O3 — CID 47082113

IUPAC4-acetyl-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCN(CC)C(CNC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccco1
InChIInChI=1S/C19H27N3O3/c1-6-22(7-2)15(16-9-8-10-25-16)11-20-19(24)18-12(3)17(14(5)23)13(4)21-18/h8-10,15,21H,6-7,11H2,1-5H3,(H,20,24)
InChIKeyVZWBGSCAJDMQNN-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.24
Rot. Bonds8

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

4-acetyl-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 47082113) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-acetyl-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID47082113
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name4-acetyl-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCN(CC)C(CNC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccco1
InChIInChI=1S/C19H27N3O3/c1-6-22(7-2)15(16-9-8-10-25-16)11-20-19(24)18-12(3)17(14(5)23)13(4)21-18/h8-10,15,21H,6-7,11H2,1-5H3,(H,20,24)
InChIKeyVZWBGSCAJDMQNN-UHFFFAOYSA-N
XLogP3.24
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 43004802
4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 39214885
5-acetyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 131920266
4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 134029345
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-sulfamoylbenzamide
CID 75431996
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide
CID 47082106
4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 95325019
4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 18136913
4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 120651755
N-[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(methoxymethyl)benzamide
CID 94813164
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86853165
N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide
CID 94813161

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 47082113) is 4-acetyl-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CCN(CC)C(CNC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccco1.
What is the InChIKey of 4-acetyl-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is VZWBGSCAJDMQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-6-22(7-2)15(16-9-8-10-25-16)11-20-19(24)18-12(3)17(14(5)23)13(4)21-18/h8-10,15,21H,6-7,11H2,1-5H3,(H,20,24).
What are the key properties of 4-acetyl-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47082113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).