N'-(2-hydroxyethyl)-N-[2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]ethyl]oxamide

C10H18N4O6 — CID 154572946

IUPACN'-(2-hydroxyethyl)-N-[2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]ethyl]oxamide
SMILESO=C(NCCO)C(=O)NCCNC(=O)C(=O)NCCO
InChIInChI=1S/C10H18N4O6/c15-5-3-13-9(19)7(17)11-1-2-12-8(18)10(20)14-4-6-16/h15-16H,1-6H2,(H,11,17)(H,12,18)(H,13,19)(H,14,20)
InChIKeyCEIOGPPTJDVVLM-UHFFFAOYSA-N
MW290.28 g/mol
LogP-4.56
Rot. Bonds7

About N'-(2-hydroxyethyl)-N-[2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]ethyl]oxamide

N'-(2-hydroxyethyl)-N-[2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]ethyl]oxamide (PubChem CID 154572946) has the molecular formula C10H18N4O6 and a molecular weight of 290.28 g/mol. Its IUPAC name is N'-(2-hydroxyethyl)-N-[2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-hydroxyethyl)-N-[2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]ethyl]oxamide
PubChem CID154572946
Molecular FormulaC10H18N4O6
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC NameN'-(2-hydroxyethyl)-N-[2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]ethyl]oxamide
SMILESO=C(NCCO)C(=O)NCCNC(=O)C(=O)NCCO
InChIInChI=1S/C10H18N4O6/c15-5-3-13-9(19)7(17)11-1-2-12-8(18)10(20)14-4-6-16/h15-16H,1-6H2,(H,11,17)(H,12,18)(H,13,19)(H,14,20)
InChIKeyCEIOGPPTJDVVLM-UHFFFAOYSA-N
XLogP-4.56
TPSA156.86 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.28
LogP ≤ 5-4.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxyethyl)-N-[2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]ethyl]oxamide?
The IUPAC name of N'-(2-hydroxyethyl)-N-[2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]ethyl]oxamide (CID 154572946) is N'-(2-hydroxyethyl)-N-[2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]ethyl]oxamide.
What is the SMILES notation for N'-(2-hydroxyethyl)-N-[2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]ethyl]oxamide?
The canonical SMILES for N'-(2-hydroxyethyl)-N-[2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]ethyl]oxamide is O=C(NCCO)C(=O)NCCNC(=O)C(=O)NCCO.
What is the InChIKey of N'-(2-hydroxyethyl)-N-[2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]ethyl]oxamide?
The InChIKey is CEIOGPPTJDVVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O6/c15-5-3-13-9(19)7(17)11-1-2-12-8(18)10(20)14-4-6-16/h15-16H,1-6H2,(H,11,17)(H,12,18)(H,13,19)(H,14,20).
What are the key properties of N'-(2-hydroxyethyl)-N-[2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]ethyl]oxamide?
N'-(2-hydroxyethyl)-N-[2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]ethyl]oxamide has a molecular weight of 290.28 g/mol, XLogP of -4.56, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxyethyl)-N-[2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]ethyl]oxamide is sourced from PubChem (CID 154572946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).