ethyl 4-[[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate

C22H31N3O6 — CID 3412421

IUPACethyl 4-[[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC(=O)N1CC(=O)N(c2ccc(OC)cc2)C1)CC(C)C
InChIInChI=1S/C22H31N3O6/c1-5-31-22(29)11-10-19(26)23(12-16(2)3)13-20(27)24-14-21(28)25(15-24)17-6-8-18(30-4)9-7-17/h6-9,16H,5,10-15H2,1-4H3
InChIKeyXUIWPYWWSASFAW-UHFFFAOYSA-N
MW433.51 g/mol
LogP1.66
Rot. Bonds10

About ethyl 4-[[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate

ethyl 4-[[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate (PubChem CID 3412421) has the molecular formula C22H31N3O6 and a molecular weight of 433.51 g/mol. Its IUPAC name is ethyl 4-[[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate
PubChem CID3412421
Molecular FormulaC22H31N3O6
Molecular Weight433.51 g/mol
Exact Mass433.22
IUPAC Nameethyl 4-[[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC(=O)N1CC(=O)N(c2ccc(OC)cc2)C1)CC(C)C
InChIInChI=1S/C22H31N3O6/c1-5-31-22(29)11-10-19(26)23(12-16(2)3)13-20(27)24-14-21(28)25(15-24)17-6-8-18(30-4)9-7-17/h6-9,16H,5,10-15H2,1-4H3
InChIKeyXUIWPYWWSASFAW-UHFFFAOYSA-N
XLogP1.66
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate with MolForge

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Related Compounds

2-methoxy-N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)acetamide
CID 42770015
N-[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 24718563
4-ethyl-N-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 5121903
N-cyclopropyl-3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]benzamide
CID 5200612
N-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide
CID 5104720
N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylhexanamide
CID 4612458
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide
CID 5145817
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-ethyl-3,4,5-trimethoxybenzamide
CID 3638102
ethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
CID 43971015
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193196
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)propanamide
CID 4307510

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate (CID 3412421) is ethyl 4-[[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(CC(=O)N1CC(=O)N(c2ccc(OC)cc2)C1)CC(C)C.
What is the InChIKey of ethyl 4-[[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate?
The InChIKey is XUIWPYWWSASFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O6/c1-5-31-22(29)11-10-19(26)23(12-16(2)3)13-20(27)24-14-21(28)25(15-24)17-6-8-18(30-4)9-7-17/h6-9,16H,5,10-15H2,1-4H3.
What are the key properties of ethyl 4-[[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate?
ethyl 4-[[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate has a molecular weight of 433.51 g/mol, XLogP of 1.66, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate is sourced from PubChem (CID 3412421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).