ethyl 1-[2-[4-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate

C21H25N3O6 — CID 46584608

IUPACethyl 1-[2-[4-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(CC(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)c1C
InChIInChI=1S/C21H25N3O6/c1-5-30-21(28)17-10-13(2)24(14(17)3)12-18(25)23-16-8-6-15(7-9-16)20(27)22-11-19(26)29-4/h6-10H,5,11-12H2,1-4H3,(H,22,27)(H,23,25)
InChIKeyCMVZHWKPWWJMOY-UHFFFAOYSA-N
MW415.45 g/mol
LogP1.82
Rot. Bonds8

About ethyl 1-[2-[4-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate

ethyl 1-[2-[4-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate (PubChem CID 46584608) has the molecular formula C21H25N3O6 and a molecular weight of 415.45 g/mol. Its IUPAC name is ethyl 1-[2-[4-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[4-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
PubChem CID46584608
Molecular FormulaC21H25N3O6
Molecular Weight415.45 g/mol
Exact Mass415.17
IUPAC Nameethyl 1-[2-[4-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(CC(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)c1C
InChIInChI=1S/C21H25N3O6/c1-5-30-21(28)17-10-13(2)24(14(17)3)12-18(25)23-16-8-6-15(7-9-16)20(27)22-11-19(26)29-4/h6-10H,5,11-12H2,1-4H3,(H,22,27)(H,23,25)
InChIKeyCMVZHWKPWWJMOY-UHFFFAOYSA-N
XLogP1.82
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[2-[4-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate with MolForge

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Related Compounds

ethyl 2,5-dimethyl-1-[2-(4-methylanilino)-2-oxoethyl]pyrrole-3-carboxylate
CID 8006583
ethyl 1-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
CID 9327528
ethyl 2,5-dimethyl-1-[2-(3-methylanilino)-2-oxoethyl]pyrrole-3-carboxylate
CID 9039178
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8911807
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
ethyl 1-[2-[2-(3,4-dimethylanilino)-2-oxoethoxy]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
CID 8003594
ethyl 1-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate
CID 9159152
ethyl 2,5-dimethyl-1-[2-oxo-2-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]ethyl]pyrrole-3-carboxylate
CID 9271905
ethyl 2,5-dimethyl-1-[2-[2-(4-morpholin-4-ylanilino)-2-oxoethoxy]-2-oxoethyl]pyrrole-3-carboxylate
CID 46561306
methyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate
CID 46584638
2-(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)acetic acid
CID 7130686
methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 46637026

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 1-[2-[4-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate (CID 46584608) is ethyl 1-[2-[4-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[4-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[4-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate is CCOC(=O)c1cc(C)n(CC(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)c1C.
What is the InChIKey of ethyl 1-[2-[4-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate?
The InChIKey is CMVZHWKPWWJMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O6/c1-5-30-21(28)17-10-13(2)24(14(17)3)12-18(25)23-16-8-6-15(7-9-16)20(27)22-11-19(26)29-4/h6-10H,5,11-12H2,1-4H3,(H,22,27)(H,23,25).
What are the key properties of ethyl 1-[2-[4-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate?
ethyl 1-[2-[4-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate has a molecular weight of 415.45 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-[(2-methoxy-2-oxoethyl)carbamoyl]anilino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate is sourced from PubChem (CID 46584608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).