4-acetyl-N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

C20H26N2O3 — CID 2086522

IUPAC4-acetyl-N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C20H26N2O3/c1-11-17(13(3)23)12(2)21-18(11)19(24)22-15-10-14(20(4,5)6)8-9-16(15)25-7/h8-10,21H,1-7H3,(H,22,24)
InChIKeyGWNPNQCWJYXUOH-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.39
Rot. Bonds4

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

4-acetyl-N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 2086522) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-acetyl-N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID2086522
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name4-acetyl-N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C20H26N2O3/c1-11-17(13(3)23)12(2)21-18(11)19(24)22-15-10-14(20(4,5)6)8-9-16(15)25-7/h8-10,21H,1-7H3,(H,22,24)
InChIKeyGWNPNQCWJYXUOH-UHFFFAOYSA-N
XLogP4.39
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (1R,12S)-10-[(E)-3-[3-(dimethylamino)-4-methoxyphenyl]prop-2-enoyl]-4-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-3-carboxylate
CID 10742676
methyl (1R,12S)-10-[(E)-3-(3-amino-4-methoxyphenyl)prop-2-enoyl]-4-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-3-carboxylate
CID 11797032
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-[3-(2-Amino-2-Oxoethoxy)phenyl]-3-Ethyl-5-Methyl-1h-Pyrrole-2-Carboxamide
CID 71940129
4-acetyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 867014
4-acetyl-N-(2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2115839
4-O-ethyl 2-O-[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2418588
4-acetyl-3-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrrole-2-carboxamide
CID 3236655
4-acetyl-N-(2,5-diethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3236746
N-(5-tert-butyl-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 8494441

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 2086522) is 4-acetyl-N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is COc1ccc(C(C)(C)C)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C.
What is the InChIKey of 4-acetyl-N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is GWNPNQCWJYXUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-11-17(13(3)23)12(2)21-18(11)19(24)22-15-10-14(20(4,5)6)8-9-16(15)25-7/h8-10,21H,1-7H3,(H,22,24).
What are the key properties of 4-acetyl-N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 2086522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).