N-[2-[bis(2-aminoethyl)amino]ethyl]-N'-(2,3-dihydroxypropyl)oxamide

C11H25N5O4 — CID 20732806

IUPACN-[2-[bis(2-aminoethyl)amino]ethyl]-N'-(2,3-dihydroxypropyl)oxamide
SMILESNCCN(CCN)CCNC(=O)C(=O)NCC(O)CO
InChIInChI=1S/C11H25N5O4/c12-1-4-16(5-2-13)6-3-14-10(19)11(20)15-7-9(18)8-17/h9,17-18H,1-8,12-13H2,(H,14,19)(H,15,20)
InChIKeyGXKLLUOEEMHQJA-UHFFFAOYSA-N
MW291.35 g/mol
LogP-4.21
Rot. Bonds10

About N-[2-[bis(2-aminoethyl)amino]ethyl]-N'-(2,3-dihydroxypropyl)oxamide

N-[2-[bis(2-aminoethyl)amino]ethyl]-N'-(2,3-dihydroxypropyl)oxamide (PubChem CID 20732806) has the molecular formula C11H25N5O4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-[bis(2-aminoethyl)amino]ethyl]-N'-(2,3-dihydroxypropyl)oxamide.

Molecular Properties

Compound NameN-[2-[bis(2-aminoethyl)amino]ethyl]-N'-(2,3-dihydroxypropyl)oxamide
PubChem CID20732806
Molecular FormulaC11H25N5O4
Molecular Weight291.35 g/mol
Exact Mass291.19
IUPAC NameN-[2-[bis(2-aminoethyl)amino]ethyl]-N'-(2,3-dihydroxypropyl)oxamide
SMILESNCCN(CCN)CCNC(=O)C(=O)NCC(O)CO
InChIInChI=1S/C11H25N5O4/c12-1-4-16(5-2-13)6-3-14-10(19)11(20)15-7-9(18)8-17/h9,17-18H,1-8,12-13H2,(H,14,19)(H,15,20)
InChIKeyGXKLLUOEEMHQJA-UHFFFAOYSA-N
XLogP-4.21
TPSA153.94 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.35
LogP ≤ 5-4.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(2-aminoethyl)amino]ethyl]-N'-(2,3-dihydroxypropyl)oxamide?
The IUPAC name of N-[2-[bis(2-aminoethyl)amino]ethyl]-N'-(2,3-dihydroxypropyl)oxamide (CID 20732806) is N-[2-[bis(2-aminoethyl)amino]ethyl]-N'-(2,3-dihydroxypropyl)oxamide.
What is the SMILES notation for N-[2-[bis(2-aminoethyl)amino]ethyl]-N'-(2,3-dihydroxypropyl)oxamide?
The canonical SMILES for N-[2-[bis(2-aminoethyl)amino]ethyl]-N'-(2,3-dihydroxypropyl)oxamide is NCCN(CCN)CCNC(=O)C(=O)NCC(O)CO.
What is the InChIKey of N-[2-[bis(2-aminoethyl)amino]ethyl]-N'-(2,3-dihydroxypropyl)oxamide?
The InChIKey is GXKLLUOEEMHQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5O4/c12-1-4-16(5-2-13)6-3-14-10(19)11(20)15-7-9(18)8-17/h9,17-18H,1-8,12-13H2,(H,14,19)(H,15,20).
What are the key properties of N-[2-[bis(2-aminoethyl)amino]ethyl]-N'-(2,3-dihydroxypropyl)oxamide?
N-[2-[bis(2-aminoethyl)amino]ethyl]-N'-(2,3-dihydroxypropyl)oxamide has a molecular weight of 291.35 g/mol, XLogP of -4.21, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(2-aminoethyl)amino]ethyl]-N'-(2,3-dihydroxypropyl)oxamide is sourced from PubChem (CID 20732806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).