4-acetyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

C17H20N2O3 — CID 867014

IUPAC4-acetyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C17H20N2O3/c1-9-6-7-14(22-5)13(8-9)19-17(21)16-10(2)15(12(4)20)11(3)18-16/h6-8,18H,1-5H3,(H,19,21)
InChIKeyRSDXSMRSFNWWSD-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.40
Rot. Bonds4

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

4-acetyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 867014) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-acetyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID867014
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-acetyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C17H20N2O3/c1-9-6-7-14(22-5)13(8-9)19-17(21)16-10(2)15(12(4)20)11(3)18-16/h6-8,18H,1-5H3,(H,19,21)
InChIKeyRSDXSMRSFNWWSD-UHFFFAOYSA-N
XLogP3.40
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.40
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-(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
ethyl 2,4-dimethyl-5-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1H-pyrrole-3-carboxylate
CID 2388578

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 867014) is 4-acetyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is COc1ccc(C)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C.
What is the InChIKey of 4-acetyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is RSDXSMRSFNWWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-9-6-7-14(22-5)13(8-9)19-17(21)16-10(2)15(12(4)20)11(3)18-16/h6-8,18H,1-5H3,(H,19,21).
What are the key properties of 4-acetyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 867014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).