[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate

C24H32N2O5 — CID 40633281

IUPAC[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCC(=O)c1cc(C)n(CCC(C)C)c1C
InChIInChI=1S/C24H32N2O5/c1-6-30-22-10-8-7-9-19(22)24(29)25-14-23(28)31-15-21(27)20-13-17(4)26(18(20)5)12-11-16(2)3/h7-10,13,16H,6,11-12,14-15H2,1-5H3,(H,25,29)
InChIKeyVQWAJDRQIIFQPP-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.71
Rot. Bonds11

About [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate

[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 40633281) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID40633281
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Name[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCC(=O)c1cc(C)n(CCC(C)C)c1C
InChIInChI=1S/C24H32N2O5/c1-6-30-22-10-8-7-9-19(22)24(29)25-14-23(28)31-15-21(27)20-13-17(4)26(18(20)5)12-11-16(2)3/h7-10,13,16H,6,11-12,14-15H2,1-5H3,(H,25,29)
InChIKeyVQWAJDRQIIFQPP-UHFFFAOYSA-N
XLogP3.71
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate with MolForge

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Related Compounds

ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate
CID 7770902
[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
CID 55701623
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807753
1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-[2-(hydroxymethyl)phenoxy]ethanone
CID 78880776
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807725
[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 4843185
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547921
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547924
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 8662107
[2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 31666708
ethyl 4-[2-[2-[(2-ethoxybenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 7807752

Frequently Asked Questions

What is the IUPAC name of [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate (CID 40633281) is [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)OCC(=O)c1cc(C)n(CCC(C)C)c1C.
What is the InChIKey of [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is VQWAJDRQIIFQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-6-30-22-10-8-7-9-19(22)24(29)25-14-23(28)31-15-21(27)20-13-17(4)26(18(20)5)12-11-16(2)3/h7-10,13,16H,6,11-12,14-15H2,1-5H3,(H,25,29).
What are the key properties of [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 428.53 g/mol, XLogP of 3.71, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 40633281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).