1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide

C24H28N2O4 — CID 34438181

IUPAC1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1cc(C)n(Cc2ccccc2)c1C
InChIInChI=1S/C24H28N2O4/c1-16-11-20(17(2)26(16)15-18-9-7-6-8-10-18)24(27)25-14-19-12-22(29-4)23(30-5)13-21(19)28-3/h6-13H,14-15H2,1-5H3,(H,25,27)
InChIKeyZSHLYSTXYDTKOB-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.11
Rot. Bonds8

About 1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide

1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide (PubChem CID 34438181) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
PubChem CID34438181
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1cc(C)n(Cc2ccccc2)c1C
InChIInChI=1S/C24H28N2O4/c1-16-11-20(17(2)26(16)15-18-9-7-6-8-10-18)24(27)25-14-19-12-22(29-4)23(30-5)13-21(19)28-3/h6-13H,14-15H2,1-5H3,(H,25,27)
InChIKeyZSHLYSTXYDTKOB-UHFFFAOYSA-N
XLogP4.11
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 26446623
1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 34463265
N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383546
2-hydroxy-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18116275
1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide
CID 86979094
1-benzyl-2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
CID 75511767
N-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 75447829
1-benzyl-3-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 55382205
N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119641511
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672366
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
2-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18116287

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide (CID 34438181) is 1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide is COc1cc(OC)c(OC)cc1CNC(=O)c1cc(C)n(Cc2ccccc2)c1C.
What is the InChIKey of 1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide?
The InChIKey is ZSHLYSTXYDTKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-16-11-20(17(2)26(16)15-18-9-7-6-8-10-18)24(27)25-14-19-12-22(29-4)23(30-5)13-21(19)28-3/h6-13H,14-15H2,1-5H3,(H,25,27).
What are the key properties of 1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide?
1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 34438181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).