methyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate

C20H29N3O6 — CID 3689635

IUPACmethyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate
SMILESCCCN(CC(=O)NCC(=O)Nc1ccc(OC)cc1)C(=O)CCCC(=O)OC
InChIInChI=1S/C20H29N3O6/c1-4-12-23(19(26)6-5-7-20(27)29-3)14-18(25)21-13-17(24)22-15-8-10-16(28-2)11-9-15/h8-11H,4-7,12-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyPUOKWEQXKGZVGZ-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.33
Rot. Bonds12

About methyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate

methyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate (PubChem CID 3689635) has the molecular formula C20H29N3O6 and a molecular weight of 407.47 g/mol. Its IUPAC name is methyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate
PubChem CID3689635
Molecular FormulaC20H29N3O6
Molecular Weight407.47 g/mol
Exact Mass407.21
IUPAC Namemethyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate
SMILESCCCN(CC(=O)NCC(=O)Nc1ccc(OC)cc1)C(=O)CCCC(=O)OC
InChIInChI=1S/C20H29N3O6/c1-4-12-23(19(26)6-5-7-20(27)29-3)14-18(25)21-13-17(24)22-15-8-10-16(28-2)11-9-15/h8-11H,4-7,12-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyPUOKWEQXKGZVGZ-UHFFFAOYSA-N
XLogP1.33
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate with MolForge

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Related Compounds

methyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate
CID 3592117
N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 4167862
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
CID 5087215
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 4139055
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide
CID 4109656
N-(2-methoxyethyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 3432157
N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3604916
4-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4051876
N-[2-(4-methoxyanilino)-2-oxoethyl]nonanamide
CID 5172800
2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
CID 4603639
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 4625550
methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate
CID 60969496

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate?
The IUPAC name of methyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate (CID 3689635) is methyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate?
The canonical SMILES for methyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate is CCCN(CC(=O)NCC(=O)Nc1ccc(OC)cc1)C(=O)CCCC(=O)OC.
What is the InChIKey of methyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate?
The InChIKey is PUOKWEQXKGZVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O6/c1-4-12-23(19(26)6-5-7-20(27)29-3)14-18(25)21-13-17(24)22-15-8-10-16(28-2)11-9-15/h8-11H,4-7,12-14H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of methyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate?
methyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate has a molecular weight of 407.47 g/mol, XLogP of 1.33, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate is sourced from PubChem (CID 3689635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).