2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide

C20H25N3O4 — CID 8001186

IUPAC2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1
InChIInChI=1S/C20H25N3O4/c1-12-19(14(3)24)13(2)21-20(12)17(25)10-23(4)11-18(26)22-15-6-8-16(27-5)9-7-15/h6-9,21H,10-11H2,1-5H3,(H,22,26)
InChIKeyKGZPKXGJTLFIBR-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.60
Rot. Bonds8

About 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide

2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 8001186) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID8001186
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1
InChIInChI=1S/C20H25N3O4/c1-12-19(14(3)24)13(2)21-20(12)17(25)10-23(4)11-18(26)22-15-6-8-16(27-5)9-7-15/h6-9,21H,10-11H2,1-5H3,(H,22,26)
InChIKeyKGZPKXGJTLFIBR-UHFFFAOYSA-N
XLogP2.60
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489221
(1R,12S)-3-acetyl-10-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-4-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one
CID 10739865
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-(cyclopropylcarbonyl)-N-(4-methoxybenzyl)-1H-pyrrole-2-carboxamide
CID 1489263
N-[3-(dimethylamino)propyl]-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide
CID 3770688
ethyl 4-[(4-methoxyphenyl)methylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 5308884
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
3,6,6-trimethyl-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)oxyanilino]-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 168119339

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide (CID 8001186) is 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)CC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1.
What is the InChIKey of 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is KGZPKXGJTLFIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-12-19(14(3)24)13(2)21-20(12)17(25)10-23(4)11-18(26)22-15-6-8-16(27-5)9-7-15/h6-9,21H,10-11H2,1-5H3,(H,22,26).
What are the key properties of 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 371.44 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 8001186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).