N-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide

C22H22N2O4 — CID 53124061

IUPACN-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)c2cccn2Cc2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H22N2O4/c1-15-6-8-16(9-7-15)14-24-12-4-5-18(24)21(25)22(26)23-17-10-11-19(27-2)20(13-17)28-3/h4-13H,14H2,1-3H3,(H,23,26)
InChIKeyABJGGTCZUARUPL-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.68
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide

N-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide (PubChem CID 53124061) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
PubChem CID53124061
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)c2cccn2Cc2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H22N2O4/c1-15-6-8-16(9-7-15)14-24-12-4-5-18(24)21(25)22(26)23-17-10-11-19(27-2)20(13-17)28-3/h4-13H,14H2,1-3H3,(H,23,26)
InChIKeyABJGGTCZUARUPL-UHFFFAOYSA-N
XLogP3.68
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124133
N-(5-chloro-2-methylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124078
N-(4-acetylphenyl)-2-[1-[(3,4-dimethylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124242
2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide
CID 53124150
N-(2,5-dimethylphenyl)-2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124203
N-(2-chloro-4-methylphenyl)-2-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124208
1-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 1483550
N-(5-chloro-2-pyridinyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124066
1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3,4-dimethoxyphenyl)urea
CID 20951376
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9458010
N-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598355
N-cyclohexyl-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124080

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide (CID 53124061) is N-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide is COc1ccc(NC(=O)C(=O)c2cccn2Cc2ccc(C)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide?
The InChIKey is ABJGGTCZUARUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15-6-8-16(9-7-15)14-24-12-4-5-18(24)21(25)22(26)23-17-10-11-19(27-2)20(13-17)28-3/h4-13H,14H2,1-3H3,(H,23,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide?
N-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide has a molecular weight of 378.43 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide is sourced from PubChem (CID 53124061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).