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

C30H50N8O10 — CID 161170878

IUPAC2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide
SMILESCC(C)NCCNC(=O)CN(CCN1CC(=O)OC(=O)C1)CC(=O)NCCNC(=O)CN(CCN1CC(=O)OC(=O)C1)CC(=O)C(C)C
InChIInChI=1S/C30H50N8O10/c1-21(2)23(39)13-35(9-11-37-17-27(43)47-28(44)18-37)14-24(40)33-7-8-34-26(42)16-36(15-25(41)32-6-5-31-22(3)4)10-12-38-19-29(45)48-30(46)20-38/h21-22,31H,5-20H2,1-4H3,(H,32,41)(H,33,40)(H,34,42)
InChIKeyNBXOFAGPHJNRKP-UHFFFAOYSA-N
MW682.78 g/mol
LogP-4.07
Rot. Bonds22

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

2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide (PubChem CID 161170878) has the molecular formula C30H50N8O10 and a molecular weight of 682.78 g/mol. Its IUPAC name is 2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide
PubChem CID161170878
Molecular FormulaC30H50N8O10
Molecular Weight682.78 g/mol
Exact Mass682.36
IUPAC Name2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide
SMILESCC(C)NCCNC(=O)CN(CCN1CC(=O)OC(=O)C1)CC(=O)NCCNC(=O)CN(CCN1CC(=O)OC(=O)C1)CC(=O)C(C)C
InChIInChI=1S/C30H50N8O10/c1-21(2)23(39)13-35(9-11-37-17-27(43)47-28(44)18-37)14-24(40)33-7-8-34-26(42)16-36(15-25(41)32-6-5-31-22(3)4)10-12-38-19-29(45)48-30(46)20-38/h21-22,31H,5-20H2,1-4H3,(H,32,41)(H,33,40)(H,34,42)
InChIKeyNBXOFAGPHJNRKP-UHFFFAOYSA-N
XLogP-4.07
TPSA216.10 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.78
LogP ≤ 5-4.07
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 2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide?
The IUPAC name of 2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide (CID 161170878) is 2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide?
The canonical SMILES for 2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide is CC(C)NCCNC(=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 2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide?
The InChIKey is NBXOFAGPHJNRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50N8O10/c1-21(2)23(39)13-35(9-11-37-17-27(43)47-28(44)18-37)14-24(40)33-7-8-34-26(42)16-36(15-25(41)32-6-5-31-22(3)4)10-12-38-19-29(45)48-30(46)20-38/h21-22,31H,5-20H2,1-4H3,(H,32,41)(H,33,40)(H,34,42).
What are the key properties of 2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide?
2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide has a molecular weight of 682.78 g/mol, XLogP of -4.07, 22 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dioxomorpholin-4-yl)ethyl-(3-methyl-2-oxobutyl)amino]-N-[2-[[2-[2-(2,6-dioxomorpholin-4-yl)ethyl-[2-oxo-2-[2-(propan-2-ylamino)ethylamino]ethyl]amino]acetyl]amino]ethyl]acetamide is sourced from PubChem (CID 161170878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).