N,N'-bis(3-ethyl-3-hydroxypentan-2-yl)oxamide

C16H32N2O4 — CID 23140879

IUPACN,N'-bis(3-ethyl-3-hydroxypentan-2-yl)oxamide
SMILESCCC(O)(CC)C(C)NC(=O)C(=O)NC(C)C(O)(CC)CC
InChIInChI=1S/C16H32N2O4/c1-7-15(21,8-2)11(5)17-13(19)14(20)18-12(6)16(22,9-3)10-4/h11-12,21-22H,7-10H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyZNFJNJSRSFQZHD-UHFFFAOYSA-N
MW316.44 g/mol
LogP1.10
Rot. Bonds8

About N,N'-bis(3-ethyl-3-hydroxypentan-2-yl)oxamide

N,N'-bis(3-ethyl-3-hydroxypentan-2-yl)oxamide (PubChem CID 23140879) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is N,N'-bis(3-ethyl-3-hydroxypentan-2-yl)oxamide.

Molecular Properties

Compound NameN,N'-bis(3-ethyl-3-hydroxypentan-2-yl)oxamide
PubChem CID23140879
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC NameN,N'-bis(3-ethyl-3-hydroxypentan-2-yl)oxamide
SMILESCCC(O)(CC)C(C)NC(=O)C(=O)NC(C)C(O)(CC)CC
InChIInChI=1S/C16H32N2O4/c1-7-15(21,8-2)11(5)17-13(19)14(20)18-12(6)16(22,9-3)10-4/h11-12,21-22H,7-10H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyZNFJNJSRSFQZHD-UHFFFAOYSA-N
XLogP1.10
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.10
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-ethyl-3-hydroxypentan-2-yl)oxamide?
The IUPAC name of N,N'-bis(3-ethyl-3-hydroxypentan-2-yl)oxamide (CID 23140879) is N,N'-bis(3-ethyl-3-hydroxypentan-2-yl)oxamide.
What is the SMILES notation for N,N'-bis(3-ethyl-3-hydroxypentan-2-yl)oxamide?
The canonical SMILES for N,N'-bis(3-ethyl-3-hydroxypentan-2-yl)oxamide is CCC(O)(CC)C(C)NC(=O)C(=O)NC(C)C(O)(CC)CC.
What is the InChIKey of N,N'-bis(3-ethyl-3-hydroxypentan-2-yl)oxamide?
The InChIKey is ZNFJNJSRSFQZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4/c1-7-15(21,8-2)11(5)17-13(19)14(20)18-12(6)16(22,9-3)10-4/h11-12,21-22H,7-10H2,1-6H3,(H,17,19)(H,18,20).
What are the key properties of N,N'-bis(3-ethyl-3-hydroxypentan-2-yl)oxamide?
N,N'-bis(3-ethyl-3-hydroxypentan-2-yl)oxamide has a molecular weight of 316.44 g/mol, XLogP of 1.10, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-ethyl-3-hydroxypentan-2-yl)oxamide is sourced from PubChem (CID 23140879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).