ethyl 5-[(4-acetamidophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C18H21N3O4 — CID 2583105

IUPACethyl 5-[(4-acetamidophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(NC(C)=O)cc2)c1C
InChIInChI=1S/C18H21N3O4/c1-5-25-18(24)15-10(2)16(19-11(15)3)17(23)21-14-8-6-13(7-9-14)20-12(4)22/h6-9,19H,5H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyBKXRISMBKWAGAR-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.02
Rot. Bonds5

About ethyl 5-[(4-acetamidophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

ethyl 5-[(4-acetamidophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 2583105) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is ethyl 5-[(4-acetamidophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-acetamidophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID2583105
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Nameethyl 5-[(4-acetamidophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(NC(C)=O)cc2)c1C
InChIInChI=1S/C18H21N3O4/c1-5-25-18(24)15-10(2)16(19-11(15)3)17(23)21-14-8-6-13(7-9-14)20-12(4)22/h6-9,19H,5H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyBKXRISMBKWAGAR-UHFFFAOYSA-N
XLogP3.02
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyl 4-acetyl-3,5-dimethyl-2-pyrrolecarboxylate
CID 563780
2-Benzyl 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 4604107
Vegf receptor 2 kinase inhibitor I
CID 6419834
Ethyl 4-[(4-fluorophenyl)carbamoyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
CID 4165375
ethyl 5-[[(2-fluorobenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 959512
3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[(2-fluorophenyl)methyl] ester
CID 2483195
methyl 5-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 5918537
methyl 2,4-dimethyl-5-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate
CID 5934618
ethyl 2,4-dimethyl-5-(pyridin-2-ylmethylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 9114293
ethyl 2,4-dimethyl-5-(2-morpholin-4-ylethylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 9465647
4-Ethyl 2-[(4-fluorophenyl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 24242464
ethyl 2,4-dimethyl-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylate
CID 5354037

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-acetamidophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 5-[(4-acetamidophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 2583105) is ethyl 5-[(4-acetamidophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-[(4-acetamidophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-[(4-acetamidophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(NC(C)=O)cc2)c1C.
What is the InChIKey of ethyl 5-[(4-acetamidophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is BKXRISMBKWAGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-5-25-18(24)15-10(2)16(19-11(15)3)17(23)21-14-8-6-13(7-9-14)20-12(4)22/h6-9,19H,5H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of ethyl 5-[(4-acetamidophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
ethyl 5-[(4-acetamidophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-acetamidophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 2583105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).