methyl 5-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C24H25N3O6 — CID 36553426

IUPACmethyl 5-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)c1C
InChIInChI=1S/C24H25N3O6/c1-13-20(24(30)33-5)14(2)25-21(13)23(29)27-17-12-18(31-3)16(11-19(17)32-4)26-22(28)15-9-7-6-8-10-15/h6-12,25H,1-5H3,(H,26,28)(H,27,29)
InChIKeyLIDMCCSCFFLXOE-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.94
Rot. Bonds7

About methyl 5-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

methyl 5-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 36553426) has the molecular formula C24H25N3O6 and a molecular weight of 451.48 g/mol. Its IUPAC name is methyl 5-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID36553426
Molecular FormulaC24H25N3O6
Molecular Weight451.48 g/mol
Exact Mass451.17
IUPAC Namemethyl 5-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)c1C
InChIInChI=1S/C24H25N3O6/c1-13-20(24(30)33-5)14(2)25-21(13)23(29)27-17-12-18(31-3)16(11-19(17)32-4)26-22(28)15-9-7-6-8-10-15/h6-12,25H,1-5H3,(H,26,28)(H,27,29)
InChIKeyLIDMCCSCFFLXOE-UHFFFAOYSA-N
XLogP3.94
TPSA118.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
methyl 5-[(3,4-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 25392367
methyl 5-[(3-chloro-4-methoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 25393428
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
methyl 5-[(4-chloro-2-methylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 26114629
2-methoxyethyl 5-[(5-bromo-2-methoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55906428
ethyl 5-[(2-methoxycarbonylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 18082478
propan-2-yl 5-[(5-acetamido-2-methoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 36554284
methyl 2-benzamido-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17064928
methyl 5-[(4-acetylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8934063
4-acetyl-N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 55893838
methyl 2,4-dimethyl-5-(phenylmethoxycarbamoyl)-1H-pyrrole-3-carboxylate
CID 17426403

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 36553426) is methyl 5-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)c1C.
What is the InChIKey of methyl 5-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is LIDMCCSCFFLXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6/c1-13-20(24(30)33-5)14(2)25-21(13)23(29)27-17-12-18(31-3)16(11-19(17)32-4)26-22(28)15-9-7-6-8-10-15/h6-12,25H,1-5H3,(H,26,28)(H,27,29).
What are the key properties of methyl 5-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
methyl 5-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 451.48 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 36553426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).