4-acetyl-3-ethyl-N-(4-methoxyphenyl)-5-methyl-1H-pyrrole-2-carboxamide

C17H20N2O3 — CID 3245819

IUPAC4-acetyl-3-ethyl-N-(4-methoxyphenyl)-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(OC)cc2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C17H20N2O3/c1-5-14-15(11(3)20)10(2)18-16(14)17(21)19-12-6-8-13(22-4)9-7-12/h6-9,18H,5H2,1-4H3,(H,19,21)
InChIKeyVMKVKNSSNPLPBO-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.35
Rot. Bonds5

About 4-acetyl-3-ethyl-N-(4-methoxyphenyl)-5-methyl-1H-pyrrole-2-carboxamide

4-acetyl-3-ethyl-N-(4-methoxyphenyl)-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 3245819) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-N-(4-methoxyphenyl)-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-ethyl-N-(4-methoxyphenyl)-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID3245819
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-acetyl-3-ethyl-N-(4-methoxyphenyl)-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(OC)cc2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C17H20N2O3/c1-5-14-15(11(3)20)10(2)18-16(14)17(21)19-12-6-8-13(22-4)9-7-12/h6-9,18H,5H2,1-4H3,(H,19,21)
InChIKeyVMKVKNSSNPLPBO-UHFFFAOYSA-N
XLogP3.35
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489221
N-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 4355644
4-acetyl-N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866996
4-acetyl-N-(4-ethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866998
4-acetyl-N-(2-methoxybenzyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 867006
Ethanone, 1-(4-acetyl-1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl)-
CID 183411
4-acetyl-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489218
4-Acetyl-N-[3-(2-Amino-2-Oxoethoxy)phenyl]-3-Ethyl-5-Methyl-1h-Pyrrole-2-Carboxamide
CID 71940129
4-acetyl-N-(3-chloro-4-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 867011
4-acetyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 867014
4-acetyl-N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2086522
4-acetyl-N-(2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2115839

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-ethyl-N-(4-methoxyphenyl)-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3-ethyl-N-(4-methoxyphenyl)-5-methyl-1H-pyrrole-2-carboxamide (CID 3245819) is 4-acetyl-3-ethyl-N-(4-methoxyphenyl)-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-ethyl-N-(4-methoxyphenyl)-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3-ethyl-N-(4-methoxyphenyl)-5-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)Nc2ccc(OC)cc2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-3-ethyl-N-(4-methoxyphenyl)-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is VMKVKNSSNPLPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-5-14-15(11(3)20)10(2)18-16(14)17(21)19-12-6-8-13(22-4)9-7-12/h6-9,18H,5H2,1-4H3,(H,19,21).
What are the key properties of 4-acetyl-3-ethyl-N-(4-methoxyphenyl)-5-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-3-ethyl-N-(4-methoxyphenyl)-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-ethyl-N-(4-methoxyphenyl)-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3245819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).