propan-2-yl 4-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate

C25H30N2O8 — CID 17259108

IUPACpropan-2-yl 4-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate
SMILESCOc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(OC)c1
InChIInChI=1S/C25H30N2O8/c1-16(2)35-25(31)17-8-10-18(11-9-17)26-22(28)6-5-7-24(30)34-15-23(29)27-20-13-12-19(32-3)14-21(20)33-4/h8-14,16H,5-7,15H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyQLAGCKYIEGEKCW-UHFFFAOYSA-N
MW486.52 g/mol
LogP3.56
Rot. Bonds12

About propan-2-yl 4-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate

propan-2-yl 4-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate (PubChem CID 17259108) has the molecular formula C25H30N2O8 and a molecular weight of 486.52 g/mol. Its IUPAC name is propan-2-yl 4-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate
PubChem CID17259108
Molecular FormulaC25H30N2O8
Molecular Weight486.52 g/mol
Exact Mass486.20
IUPAC Namepropan-2-yl 4-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate
SMILESCOc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(OC)c1
InChIInChI=1S/C25H30N2O8/c1-16(2)35-25(31)17-8-10-18(11-9-17)26-22(28)6-5-7-24(30)34-15-23(29)27-20-13-12-19(32-3)14-21(20)33-4/h8-14,16H,5-7,15H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyQLAGCKYIEGEKCW-UHFFFAOYSA-N
XLogP3.56
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze propan-2-yl 4-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate with MolForge

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Related Compounds

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-(3,4-dichloroanilino)-4-oxobutanoate
CID 17259504
propan-2-yl 4-[[2-[2-(4-methoxyphenyl)sulfanylacetyl]oxyacetyl]amino]benzoate
CID 8551114
(1-oxo-1-phenylpropan-2-yl) 4-[[5-[2-(4-methoxyphenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate
CID 3365886
[2-(4-methoxyanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 9067653
[2-(2,4-dimethylanilino)-2-oxoethyl] 5-[4-(2-methoxyphenoxy)anilino]-5-oxopentanoate
CID 17388477
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
CID 7838043
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-ethoxy-3-methoxybenzoate
CID 7416061
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962482
2-methylpropyl 4-[[5-oxo-5-[2-oxo-2-(4-phenoxyanilino)ethoxy]pentanoyl]amino]benzoate
CID 17259886
propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7750523
propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate
CID 7965181
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate (CID 17259108) is propan-2-yl 4-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate is COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(OC)c1.
What is the InChIKey of propan-2-yl 4-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate?
The InChIKey is QLAGCKYIEGEKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O8/c1-16(2)35-25(31)17-8-10-18(11-9-17)26-22(28)6-5-7-24(30)34-15-23(29)27-20-13-12-19(32-3)14-21(20)33-4/h8-14,16H,5-7,15H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of propan-2-yl 4-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate?
propan-2-yl 4-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate has a molecular weight of 486.52 g/mol, XLogP of 3.56, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[5-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate is sourced from PubChem (CID 17259108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).