N,N'-bis(3-hydroxy-3-propylhexan-2-yl)oxamide

C20H40N2O4 — CID 23141073

IUPACN,N'-bis(3-hydroxy-3-propylhexan-2-yl)oxamide
SMILESCCCC(O)(CCC)C(C)NC(=O)C(=O)NC(C)C(O)(CCC)CCC
InChIInChI=1S/C20H40N2O4/c1-7-11-19(25,12-8-2)15(5)21-17(23)18(24)22-16(6)20(26,13-9-3)14-10-4/h15-16,25-26H,7-14H2,1-6H3,(H,21,23)(H,22,24)
InChIKeySMQDPZMGERFHPA-UHFFFAOYSA-N
MW372.55 g/mol
LogP2.66
Rot. Bonds12

About N,N'-bis(3-hydroxy-3-propylhexan-2-yl)oxamide

N,N'-bis(3-hydroxy-3-propylhexan-2-yl)oxamide (PubChem CID 23141073) has the molecular formula C20H40N2O4 and a molecular weight of 372.55 g/mol. Its IUPAC name is N,N'-bis(3-hydroxy-3-propylhexan-2-yl)oxamide.

Molecular Properties

Compound NameN,N'-bis(3-hydroxy-3-propylhexan-2-yl)oxamide
PubChem CID23141073
Molecular FormulaC20H40N2O4
Molecular Weight372.55 g/mol
Exact Mass372.30
IUPAC NameN,N'-bis(3-hydroxy-3-propylhexan-2-yl)oxamide
SMILESCCCC(O)(CCC)C(C)NC(=O)C(=O)NC(C)C(O)(CCC)CCC
InChIInChI=1S/C20H40N2O4/c1-7-11-19(25,12-8-2)15(5)21-17(23)18(24)22-16(6)20(26,13-9-3)14-10-4/h15-16,25-26H,7-14H2,1-6H3,(H,21,23)(H,22,24)
InChIKeySMQDPZMGERFHPA-UHFFFAOYSA-N
XLogP2.66
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 52.66
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(3-hydroxy-3-propylhexan-2-yl)oxamide?
The IUPAC name of N,N'-bis(3-hydroxy-3-propylhexan-2-yl)oxamide (CID 23141073) is N,N'-bis(3-hydroxy-3-propylhexan-2-yl)oxamide.
What is the SMILES notation for N,N'-bis(3-hydroxy-3-propylhexan-2-yl)oxamide?
The canonical SMILES for N,N'-bis(3-hydroxy-3-propylhexan-2-yl)oxamide is CCCC(O)(CCC)C(C)NC(=O)C(=O)NC(C)C(O)(CCC)CCC.
What is the InChIKey of N,N'-bis(3-hydroxy-3-propylhexan-2-yl)oxamide?
The InChIKey is SMQDPZMGERFHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O4/c1-7-11-19(25,12-8-2)15(5)21-17(23)18(24)22-16(6)20(26,13-9-3)14-10-4/h15-16,25-26H,7-14H2,1-6H3,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis(3-hydroxy-3-propylhexan-2-yl)oxamide?
N,N'-bis(3-hydroxy-3-propylhexan-2-yl)oxamide has a molecular weight of 372.55 g/mol, XLogP of 2.66, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-hydroxy-3-propylhexan-2-yl)oxamide is sourced from PubChem (CID 23141073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).