N,N'-bis(4-hydroxy-2-methyl-4-propylheptan-3-yl)oxamide

C24H48N2O4 — CID 23140954

IUPACN,N'-bis(4-hydroxy-2-methyl-4-propylheptan-3-yl)oxamide
SMILESCCCC(O)(CCC)C(NC(=O)C(=O)NC(C(C)C)C(O)(CCC)CCC)C(C)C
InChIInChI=1S/C24H48N2O4/c1-9-13-23(29,14-10-2)19(17(5)6)25-21(27)22(28)26-20(18(7)8)24(30,15-11-3)16-12-4/h17-20,29-30H,9-16H2,1-8H3,(H,25,27)(H,26,28)
InChIKeyKWMOZXBEOSKQMX-UHFFFAOYSA-N
MW428.66 g/mol
LogP3.93
Rot. Bonds14

About N,N'-bis(4-hydroxy-2-methyl-4-propylheptan-3-yl)oxamide

N,N'-bis(4-hydroxy-2-methyl-4-propylheptan-3-yl)oxamide (PubChem CID 23140954) has the molecular formula C24H48N2O4 and a molecular weight of 428.66 g/mol. Its IUPAC name is N,N'-bis(4-hydroxy-2-methyl-4-propylheptan-3-yl)oxamide.

Molecular Properties

Compound NameN,N'-bis(4-hydroxy-2-methyl-4-propylheptan-3-yl)oxamide
PubChem CID23140954
Molecular FormulaC24H48N2O4
Molecular Weight428.66 g/mol
Exact Mass428.36
IUPAC NameN,N'-bis(4-hydroxy-2-methyl-4-propylheptan-3-yl)oxamide
SMILESCCCC(O)(CCC)C(NC(=O)C(=O)NC(C(C)C)C(O)(CCC)CCC)C(C)C
InChIInChI=1S/C24H48N2O4/c1-9-13-23(29,14-10-2)19(17(5)6)25-21(27)22(28)26-20(18(7)8)24(30,15-11-3)16-12-4/h17-20,29-30H,9-16H2,1-8H3,(H,25,27)(H,26,28)
InChIKeyKWMOZXBEOSKQMX-UHFFFAOYSA-N
XLogP3.93
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.66
LogP ≤ 53.93
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(4-hydroxy-2-methyl-4-propylheptan-3-yl)oxamide?
The IUPAC name of N,N'-bis(4-hydroxy-2-methyl-4-propylheptan-3-yl)oxamide (CID 23140954) is N,N'-bis(4-hydroxy-2-methyl-4-propylheptan-3-yl)oxamide.
What is the SMILES notation for N,N'-bis(4-hydroxy-2-methyl-4-propylheptan-3-yl)oxamide?
The canonical SMILES for N,N'-bis(4-hydroxy-2-methyl-4-propylheptan-3-yl)oxamide is CCCC(O)(CCC)C(NC(=O)C(=O)NC(C(C)C)C(O)(CCC)CCC)C(C)C.
What is the InChIKey of N,N'-bis(4-hydroxy-2-methyl-4-propylheptan-3-yl)oxamide?
The InChIKey is KWMOZXBEOSKQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O4/c1-9-13-23(29,14-10-2)19(17(5)6)25-21(27)22(28)26-20(18(7)8)24(30,15-11-3)16-12-4/h17-20,29-30H,9-16H2,1-8H3,(H,25,27)(H,26,28).
What are the key properties of N,N'-bis(4-hydroxy-2-methyl-4-propylheptan-3-yl)oxamide?
N,N'-bis(4-hydroxy-2-methyl-4-propylheptan-3-yl)oxamide has a molecular weight of 428.66 g/mol, XLogP of 3.93, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-hydroxy-2-methyl-4-propylheptan-3-yl)oxamide is sourced from PubChem (CID 23140954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).