methyl 2-[[2-[2-(4-methoxyanilino)-2-oxoethoxy]acetyl]amino]-4-methylpentanoate

C18H26N2O6 — CID 3943629

IUPACmethyl 2-[[2-[2-(4-methoxyanilino)-2-oxoethoxy]acetyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)COCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C18H26N2O6/c1-12(2)9-15(18(23)25-4)20-17(22)11-26-10-16(21)19-13-5-7-14(24-3)8-6-13/h5-8,12,15H,9-11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyKRWCOFMLDIFWFJ-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.35
Rot. Bonds10

About methyl 2-[[2-[2-(4-methoxyanilino)-2-oxoethoxy]acetyl]amino]-4-methylpentanoate

methyl 2-[[2-[2-(4-methoxyanilino)-2-oxoethoxy]acetyl]amino]-4-methylpentanoate (PubChem CID 3943629) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is methyl 2-[[2-[2-(4-methoxyanilino)-2-oxoethoxy]acetyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-(4-methoxyanilino)-2-oxoethoxy]acetyl]amino]-4-methylpentanoate
PubChem CID3943629
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Namemethyl 2-[[2-[2-(4-methoxyanilino)-2-oxoethoxy]acetyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)COCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C18H26N2O6/c1-12(2)9-15(18(23)25-4)20-17(22)11-26-10-16(21)19-13-5-7-14(24-3)8-6-13/h5-8,12,15H,9-11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyKRWCOFMLDIFWFJ-UHFFFAOYSA-N
XLogP1.35
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[2-(4-methoxyanilino)-2-oxoethoxy]acetyl]amino]-4-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-4-methylpentanoate
CID 8817915
methyl (2S)-2-[[4-[(4-methoxyphenyl)carbamoyl]piperazine-1-carbonyl]amino]-4-methylpentanoate
CID 126483001
methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate
CID 3376404
methyl (2R)-4-methyl-2-[[(3R)-3-methyl-5-(4-methylanilino)-5-oxopentanoyl]amino]pentanoate
CID 7321915
[2-(4-methoxyanilino)-2-oxoethyl] 2-methylbutanoate
CID 46512060
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 9406247
methyl 2-[[2-[3-acetamido-3-(4-methoxyphenyl)propanoyl]oxyacetyl]amino]-4-methylpentanoate
CID 55402517
methyl (2S)-2-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]-4-methylpentanoate
CID 90879083
methyl 2-[[2-[2-(4-bromophenoxy)propanoyloxy]acetyl]amino]-4-methylpentanoate
CID 55400206
methyl (2S)-4-methyl-2-[[3,3,3-trifluoro-2-(4-methoxyanilino)propanoyl]amino]pentanoate
CID 101397777
2-(2-amino-2-methylpropoxy)-N-(4-methoxyphenyl)acetamide
CID 64537579
2-(4-methoxyphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 4940606

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-(4-methoxyanilino)-2-oxoethoxy]acetyl]amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[[2-[2-(4-methoxyanilino)-2-oxoethoxy]acetyl]amino]-4-methylpentanoate (CID 3943629) is methyl 2-[[2-[2-(4-methoxyanilino)-2-oxoethoxy]acetyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-[2-(4-methoxyanilino)-2-oxoethoxy]acetyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[[2-[2-(4-methoxyanilino)-2-oxoethoxy]acetyl]amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)COCC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[[2-[2-(4-methoxyanilino)-2-oxoethoxy]acetyl]amino]-4-methylpentanoate?
The InChIKey is KRWCOFMLDIFWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6/c1-12(2)9-15(18(23)25-4)20-17(22)11-26-10-16(21)19-13-5-7-14(24-3)8-6-13/h5-8,12,15H,9-11H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of methyl 2-[[2-[2-(4-methoxyanilino)-2-oxoethoxy]acetyl]amino]-4-methylpentanoate?
methyl 2-[[2-[2-(4-methoxyanilino)-2-oxoethoxy]acetyl]amino]-4-methylpentanoate has a molecular weight of 366.41 g/mol, XLogP of 1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-(4-methoxyanilino)-2-oxoethoxy]acetyl]amino]-4-methylpentanoate is sourced from PubChem (CID 3943629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).