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

C18H22N2O3 — CID 3236655

IUPAC4-acetyl-3-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2cc(C)ccc2OC)[nH]c(C)c1C(C)=O
InChIInChI=1S/C18H22N2O3/c1-6-13-16(12(4)21)11(3)19-17(13)18(22)20-14-9-10(2)7-8-15(14)23-5/h7-9,19H,6H2,1-5H3,(H,20,22)
InChIKeyUJTMENQUUKHGGD-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.66
Rot. Bonds5

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

4-acetyl-3-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 3236655) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID3236655
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name4-acetyl-3-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2cc(C)ccc2OC)[nH]c(C)c1C(C)=O
InChIInChI=1S/C18H22N2O3/c1-6-13-16(12(4)21)11(3)19-17(13)18(22)20-14-9-10(2)7-8-15(14)23-5/h7-9,19H,6H2,1-5H3,(H,20,22)
InChIKeyUJTMENQUUKHGGD-UHFFFAOYSA-N
XLogP3.66
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.66
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
ethyl 4-{[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 5240566
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
4-acetyl-N-[2-methoxy-5-(piperidine-1-sulfonyl)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 4238627
ethyl 4-[(4-methoxyphenyl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 5308884
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-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrrole-2-carboxamide (CID 3236655) is 4-acetyl-3-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)Nc2cc(C)ccc2OC)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-3-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is UJTMENQUUKHGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-6-13-16(12(4)21)11(3)19-17(13)18(22)20-14-9-10(2)7-8-15(14)23-5/h7-9,19H,6H2,1-5H3,(H,20,22).
What are the key properties of 4-acetyl-3-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-3-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.66, 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-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3236655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).