N-[4-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide

C18H20N2O3 — CID 876891

IUPACN-[4-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1
InChIInChI=1S/C18H20N2O3/c1-10-17(12(3)21)18(13(4)22)11(2)20(10)16-8-6-15(7-9-16)19-14(5)23/h6-9H,1-5H3,(H,19,23)
InChIKeyQXYAWBPNAXHMJL-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.46
Rot. Bonds4

About N-[4-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide

N-[4-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide (PubChem CID 876891) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[4-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide
PubChem CID876891
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[4-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1
InChIInChI=1S/C18H20N2O3/c1-10-17(12(3)21)18(13(4)22)11(2)20(10)16-8-6-15(7-9-16)19-14(5)23/h6-9H,1-5H3,(H,19,23)
InChIKeyQXYAWBPNAXHMJL-UHFFFAOYSA-N
XLogP3.46
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2,5-Dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 2113511
3-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide
CID 947451
4-acetyl-N-(4-ethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866993
1-[4-Acetyl-1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 658866
1,1'-(1-benzyl-2,5-dimethyl-1H-pyrrole-3,4-diyl)diethanone
CID 3858776
4-[2-(diethylamino)-2-oxo-acetyl]-N-(3,4-difluorophenyl)-1,3,5-trimethyl-pyrrole-2-carboxamide
CID 130408595
2-(2,5-Dimethylpyrrol-1-yl)benzamide
CID 118443935
N-cyclohexyl-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 2110634
2,5-dimethyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide
CID 2368804
2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)-3-pyrrolecarboxamide
CID 2423054
5-tert-butyl-2-methyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide
CID 2742296
2-[2-(2,5-Dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3000139

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide?
The IUPAC name of N-[4-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide (CID 876891) is N-[4-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide is CC(=O)Nc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1.
What is the InChIKey of N-[4-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide?
The InChIKey is QXYAWBPNAXHMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-10-17(12(3)21)18(13(4)22)11(2)20(10)16-8-6-15(7-9-16)19-14(5)23/h6-9H,1-5H3,(H,19,23).
What are the key properties of N-[4-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide?
N-[4-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide has a molecular weight of 312.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)phenyl]acetamide is sourced from PubChem (CID 876891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).