N,N'-bis(5-hydroxy-2-methyl-5-propyloctan-4-yl)oxamide

C26H52N2O4 — CID 23140929

IUPACN,N'-bis(5-hydroxy-2-methyl-5-propyloctan-4-yl)oxamide
SMILESCCCC(O)(CCC)C(CC(C)C)NC(=O)C(=O)NC(CC(C)C)C(O)(CCC)CCC
InChIInChI=1S/C26H52N2O4/c1-9-13-25(31,14-10-2)21(17-19(5)6)27-23(29)24(30)28-22(18-20(7)8)26(32,15-11-3)16-12-4/h19-22,31-32H,9-18H2,1-8H3,(H,27,29)(H,28,30)
InChIKeyISCJCCVLCSTTKU-UHFFFAOYSA-N
MW456.71 g/mol
LogP4.71
Rot. Bonds16

About N,N'-bis(5-hydroxy-2-methyl-5-propyloctan-4-yl)oxamide

N,N'-bis(5-hydroxy-2-methyl-5-propyloctan-4-yl)oxamide (PubChem CID 23140929) has the molecular formula C26H52N2O4 and a molecular weight of 456.71 g/mol. Its IUPAC name is N,N'-bis(5-hydroxy-2-methyl-5-propyloctan-4-yl)oxamide.

Molecular Properties

Compound NameN,N'-bis(5-hydroxy-2-methyl-5-propyloctan-4-yl)oxamide
PubChem CID23140929
Molecular FormulaC26H52N2O4
Molecular Weight456.71 g/mol
Exact Mass456.39
IUPAC NameN,N'-bis(5-hydroxy-2-methyl-5-propyloctan-4-yl)oxamide
SMILESCCCC(O)(CCC)C(CC(C)C)NC(=O)C(=O)NC(CC(C)C)C(O)(CCC)CCC
InChIInChI=1S/C26H52N2O4/c1-9-13-25(31,14-10-2)21(17-19(5)6)27-23(29)24(30)28-22(18-20(7)8)26(32,15-11-3)16-12-4/h19-22,31-32H,9-18H2,1-8H3,(H,27,29)(H,28,30)
InChIKeyISCJCCVLCSTTKU-UHFFFAOYSA-N
XLogP4.71
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.71
LogP ≤ 54.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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,N'-bis(5-hydroxy-2-methyl-5-propyloctan-4-yl)oxamide?
The IUPAC name of N,N'-bis(5-hydroxy-2-methyl-5-propyloctan-4-yl)oxamide (CID 23140929) is N,N'-bis(5-hydroxy-2-methyl-5-propyloctan-4-yl)oxamide.
What is the SMILES notation for N,N'-bis(5-hydroxy-2-methyl-5-propyloctan-4-yl)oxamide?
The canonical SMILES for N,N'-bis(5-hydroxy-2-methyl-5-propyloctan-4-yl)oxamide is CCCC(O)(CCC)C(CC(C)C)NC(=O)C(=O)NC(CC(C)C)C(O)(CCC)CCC.
What is the InChIKey of N,N'-bis(5-hydroxy-2-methyl-5-propyloctan-4-yl)oxamide?
The InChIKey is ISCJCCVLCSTTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N2O4/c1-9-13-25(31,14-10-2)21(17-19(5)6)27-23(29)24(30)28-22(18-20(7)8)26(32,15-11-3)16-12-4/h19-22,31-32H,9-18H2,1-8H3,(H,27,29)(H,28,30).
What are the key properties of N,N'-bis(5-hydroxy-2-methyl-5-propyloctan-4-yl)oxamide?
N,N'-bis(5-hydroxy-2-methyl-5-propyloctan-4-yl)oxamide has a molecular weight of 456.71 g/mol, XLogP of 4.71, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5-hydroxy-2-methyl-5-propyloctan-4-yl)oxamide is sourced from PubChem (CID 23140929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).