ethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate

C28H38N4O6 — CID 10768459

IUPACethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CNCC(=O)N(CCN(Cc1ccccc1)C(=O)CNCC(=O)OCC)Cc1ccccc1
InChIInChI=1S/C28H38N4O6/c1-3-37-27(35)19-29-17-25(33)31(21-23-11-7-5-8-12-23)15-16-32(22-24-13-9-6-10-14-24)26(34)18-30-20-28(36)38-4-2/h5-14,29-30H,3-4,15-22H2,1-2H3
InChIKeyDKECFZWVGVUJQH-UHFFFAOYSA-N
MW526.63 g/mol
LogP1.35
Rot. Bonds17

About ethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate

ethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate (PubChem CID 10768459) has the molecular formula C28H38N4O6 and a molecular weight of 526.63 g/mol. Its IUPAC name is ethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate
PubChem CID10768459
Molecular FormulaC28H38N4O6
Molecular Weight526.63 g/mol
Exact Mass526.28
IUPAC Nameethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CNCC(=O)N(CCN(Cc1ccccc1)C(=O)CNCC(=O)OCC)Cc1ccccc1
InChIInChI=1S/C28H38N4O6/c1-3-37-27(35)19-29-17-25(33)31(21-23-11-7-5-8-12-23)15-16-32(22-24-13-9-6-10-14-24)26(34)18-30-20-28(36)38-4-2/h5-14,29-30H,3-4,15-22H2,1-2H3
InChIKeyDKECFZWVGVUJQH-UHFFFAOYSA-N
XLogP1.35
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.63
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate with MolForge

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Related Compounds

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N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide
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CID 119681638
N-benzyl-2-(methylamino)-N-propylacetamide
CID 43401552
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CID 13133641
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 54869876
N-benzyl-N-ethyl-2-(propylamino)acetamide
CID 60687302
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate (CID 10768459) is ethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate is CCOC(=O)CNCC(=O)N(CCN(Cc1ccccc1)C(=O)CNCC(=O)OCC)Cc1ccccc1.
What is the InChIKey of ethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate?
The InChIKey is DKECFZWVGVUJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O6/c1-3-37-27(35)19-29-17-25(33)31(21-23-11-7-5-8-12-23)15-16-32(22-24-13-9-6-10-14-24)26(34)18-30-20-28(36)38-4-2/h5-14,29-30H,3-4,15-22H2,1-2H3.
What are the key properties of ethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate?
ethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate has a molecular weight of 526.63 g/mol, XLogP of 1.35, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[benzyl-[2-[benzyl-[2-[(2-ethoxy-2-oxoethyl)amino]acetyl]amino]ethyl]amino]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 10768459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).