[2-oxo-2-(propylcarbamoylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

C15H21N3O5 — CID 3908595

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCCCNC(=O)NC(=O)COC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C15H21N3O5/c1-5-6-16-15(22)18-11(20)7-23-14(21)13-8(2)12(10(4)19)9(3)17-13/h17H,5-7H2,1-4H3,(H2,16,18,20,22)
InChIKeyLHGOTAIBJMYVKV-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.23
Rot. Bonds6

About [2-oxo-2-(propylcarbamoylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

[2-oxo-2-(propylcarbamoylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate (PubChem CID 3908595) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
PubChem CID3908595
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCCCNC(=O)NC(=O)COC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C15H21N3O5/c1-5-6-16-15(22)18-11(20)7-23-14(21)13-8(2)12(10(4)19)9(3)17-13/h17H,5-7H2,1-4H3,(H2,16,18,20,22)
InChIKeyLHGOTAIBJMYVKV-UHFFFAOYSA-N
XLogP1.23
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(propylcarbamoylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(methylamino)-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2120212
[2-oxo-2-(pentan-2-ylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 3502180
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 7277413
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2597771
2-O-[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7634308
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 8579374
[2-(4-tert-butylanilino)-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 7191693
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 55390522
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 7191710
[2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648583
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 7191599
2-O-ethyl 4-O-[2-(2-methylpropylamino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2704564

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate (CID 3908595) is [2-oxo-2-(propylcarbamoylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate is CCCNC(=O)NC(=O)COC(=O)c1[nH]c(C)c(C(C)=O)c1C.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The InChIKey is LHGOTAIBJMYVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-5-6-16-15(22)18-11(20)7-23-14(21)13-8(2)12(10(4)19)9(3)17-13/h17H,5-7H2,1-4H3,(H2,16,18,20,22).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 3908595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).