benzyl 3-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl(propanoyl)amino]acetyl]amino]acetyl]amino]propanoate

C26H41N3O8 — CID 118137228

IUPACbenzyl 3-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl(propanoyl)amino]acetyl]amino]acetyl]amino]propanoate
SMILESCCC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CCC(=O)OCc1ccccc1
InChIInChI=1S/C26H41N3O8/c1-5-23(30)28(14-17-35-3)20-25(32)29(15-18-36-4)19-24(31)27(13-16-34-2)12-11-26(33)37-21-22-9-7-6-8-10-22/h6-10H,5,11-21H2,1-4H3
InChIKeyYBBPJGULSRTWAF-UHFFFAOYSA-N
MW523.63 g/mol
LogP0.95
Rot. Bonds19

About benzyl 3-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl(propanoyl)amino]acetyl]amino]acetyl]amino]propanoate

benzyl 3-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl(propanoyl)amino]acetyl]amino]acetyl]amino]propanoate (PubChem CID 118137228) has the molecular formula C26H41N3O8 and a molecular weight of 523.63 g/mol. Its IUPAC name is benzyl 3-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl(propanoyl)amino]acetyl]amino]acetyl]amino]propanoate.

Molecular Properties

Compound Namebenzyl 3-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl(propanoyl)amino]acetyl]amino]acetyl]amino]propanoate
PubChem CID118137228
Molecular FormulaC26H41N3O8
Molecular Weight523.63 g/mol
Exact Mass523.29
IUPAC Namebenzyl 3-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl(propanoyl)amino]acetyl]amino]acetyl]amino]propanoate
SMILESCCC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CCC(=O)OCc1ccccc1
InChIInChI=1S/C26H41N3O8/c1-5-23(30)28(14-17-35-3)20-25(32)29(15-18-36-4)19-24(31)27(13-16-34-2)12-11-26(33)37-21-22-9-7-6-8-10-22/h6-10H,5,11-21H2,1-4H3
InChIKeyYBBPJGULSRTWAF-UHFFFAOYSA-N
XLogP0.95
TPSA114.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.63
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze benzyl 3-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl(propanoyl)amino]acetyl]amino]acetyl]amino]propanoate with MolForge

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Related Compounds

ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate
CID 20621418
ethyl 4-[[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-4-oxobutanoate
CID 3919355
4-O-benzyl 1-O-[2-(2-methoxyethoxy)ethyl] butanedioate
CID 71416841
benzyl 3-[2-[ethyl(2-methoxyethyl)amino]ethylamino]propanoate
CID 57301995
benzyl 3-[acetyl(2-iodoethyl)amino]propanoate
CID 134555980
2-[2-[2-acetyloxyethyl-[2-[bis(2-oxo-2-phenylmethoxyethyl)amino]-2-oxoethyl]amino]ethyl-[2-[bis(2-oxo-2-phenylmethoxyethyl)amino]-2-oxoethyl]amino]ethyl butanoate
CID 10605942
6-O-benzyl 1-O-[2-(2-methoxyethoxy)ethyl] hexanedioate;bis[2-(2-methoxyethoxy)ethyl] hexanedioate;dibenzyl hexanedioate
CID 158933563
benzyl butanoate;propanoic acid
CID 175271849
ethyl 3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate
CID 89387456
benzyl 4-propanoyloxybutanoate
CID 163613543
benzyl propanoate;hydrochloride
CID 140986165
2-amino-N-(2-methoxyethyl)-N-(3-phenylpropyl)acetamide
CID 119307588

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl(propanoyl)amino]acetyl]amino]acetyl]amino]propanoate?
The IUPAC name of benzyl 3-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl(propanoyl)amino]acetyl]amino]acetyl]amino]propanoate (CID 118137228) is benzyl 3-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl(propanoyl)amino]acetyl]amino]acetyl]amino]propanoate.
What is the SMILES notation for benzyl 3-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl(propanoyl)amino]acetyl]amino]acetyl]amino]propanoate?
The canonical SMILES for benzyl 3-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl(propanoyl)amino]acetyl]amino]acetyl]amino]propanoate is CCC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl(propanoyl)amino]acetyl]amino]acetyl]amino]propanoate?
The InChIKey is YBBPJGULSRTWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O8/c1-5-23(30)28(14-17-35-3)20-25(32)29(15-18-36-4)19-24(31)27(13-16-34-2)12-11-26(33)37-21-22-9-7-6-8-10-22/h6-10H,5,11-21H2,1-4H3.
What are the key properties of benzyl 3-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl(propanoyl)amino]acetyl]amino]acetyl]amino]propanoate?
benzyl 3-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl(propanoyl)amino]acetyl]amino]acetyl]amino]propanoate has a molecular weight of 523.63 g/mol, XLogP of 0.95, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl(propanoyl)amino]acetyl]amino]acetyl]amino]propanoate is sourced from PubChem (CID 118137228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).