N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]amino]acetyl]amino]ethyl]-2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]acetamide

C29H48N8O10 — CID 166675314

IUPACN-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]amino]acetyl]amino]ethyl]-2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]acetamide
SMILESCCNCCNC(=O)CN(CCN1CC(=O)OC(=O)C1)CC(=O)NCCNC(=O)CN(CCN1CC(=O)OC(=O)C1)CC(=O)C(C)C
InChIInChI=1S/C29H48N8O10/c1-4-30-5-6-31-24(40)15-35(10-12-37-19-28(44)47-29(45)20-37)16-25(41)33-8-7-32-23(39)14-34(13-22(38)21(2)3)9-11-36-17-26(42)46-27(43)18-36/h21,30H,4-20H2,1-3H3,(H,31,40)(H,32,39)(H,33,41)
InChIKeyVSIAFNOYUCQWCF-UHFFFAOYSA-N
MW668.75 g/mol
LogP-4.46
Rot. Bonds22

About N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]amino]acetyl]amino]ethyl]-2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]acetamide

N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]amino]acetyl]amino]ethyl]-2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]acetamide (PubChem CID 166675314) has the molecular formula C29H48N8O10 and a molecular weight of 668.75 g/mol. Its IUPAC name is N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]amino]acetyl]amino]ethyl]-2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]amino]acetyl]amino]ethyl]-2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]acetamide
PubChem CID166675314
Molecular FormulaC29H48N8O10
Molecular Weight668.75 g/mol
Exact Mass668.35
IUPAC NameN-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]amino]acetyl]amino]ethyl]-2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]acetamide
SMILESCCNCCNC(=O)CN(CCN1CC(=O)OC(=O)C1)CC(=O)NCCNC(=O)CN(CCN1CC(=O)OC(=O)C1)CC(=O)C(C)C
InChIInChI=1S/C29H48N8O10/c1-4-30-5-6-31-24(40)15-35(10-12-37-19-28(44)47-29(45)20-37)16-25(41)33-8-7-32-23(39)14-34(13-22(38)21(2)3)9-11-36-17-26(42)46-27(43)18-36/h21,30H,4-20H2,1-3H3,(H,31,40)(H,32,39)(H,33,41)
InChIKeyVSIAFNOYUCQWCF-UHFFFAOYSA-N
XLogP-4.46
TPSA216.10 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.75
LogP ≤ 5-4.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]amino]acetyl]amino]ethyl]-2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]amino]acetyl]amino]ethyl]-2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]acetamide?
The IUPAC name of N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]amino]acetyl]amino]ethyl]-2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]acetamide (CID 166675314) is N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]amino]acetyl]amino]ethyl]-2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]acetamide.
What is the SMILES notation for N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]amino]acetyl]amino]ethyl]-2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]acetamide?
The canonical SMILES for N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]amino]acetyl]amino]ethyl]-2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]acetamide is CCNCCNC(=O)CN(CCN1CC(=O)OC(=O)C1)CC(=O)NCCNC(=O)CN(CCN1CC(=O)OC(=O)C1)CC(=O)C(C)C.
What is the InChIKey of N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]amino]acetyl]amino]ethyl]-2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]acetamide?
The InChIKey is VSIAFNOYUCQWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H48N8O10/c1-4-30-5-6-31-24(40)15-35(10-12-37-19-28(44)47-29(45)20-37)16-25(41)33-8-7-32-23(39)14-34(13-22(38)21(2)3)9-11-36-17-26(42)46-27(43)18-36/h21,30H,4-20H2,1-3H3,(H,31,40)(H,32,39)(H,33,41).
What are the key properties of N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]amino]acetyl]amino]ethyl]-2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]acetamide?
N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]amino]acetyl]amino]ethyl]-2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]acetamide has a molecular weight of 668.75 g/mol, XLogP of -4.46, 22 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]amino]acetyl]amino]ethyl]-2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]acetamide is sourced from PubChem (CID 166675314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).