N,N'-bis[1-(1-hydroxycyclopentyl)ethyl]oxamide

C16H28N2O4 — CID 23140865

IUPACN,N'-bis[1-(1-hydroxycyclopentyl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)NC(C)C1(O)CCCC1)C1(O)CCCC1
InChIInChI=1S/C16H28N2O4/c1-11(15(21)7-3-4-8-15)17-13(19)14(20)18-12(2)16(22)9-5-6-10-16/h11-12,21-22H,3-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyCTGLLNSMLHNTEE-UHFFFAOYSA-N
MW312.41 g/mol
LogP0.61
Rot. Bonds4

About N,N'-bis[1-(1-hydroxycyclopentyl)ethyl]oxamide

N,N'-bis[1-(1-hydroxycyclopentyl)ethyl]oxamide (PubChem CID 23140865) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is N,N'-bis[1-(1-hydroxycyclopentyl)ethyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[1-(1-hydroxycyclopentyl)ethyl]oxamide
PubChem CID23140865
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC NameN,N'-bis[1-(1-hydroxycyclopentyl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)NC(C)C1(O)CCCC1)C1(O)CCCC1
InChIInChI=1S/C16H28N2O4/c1-11(15(21)7-3-4-8-15)17-13(19)14(20)18-12(2)16(22)9-5-6-10-16/h11-12,21-22H,3-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyCTGLLNSMLHNTEE-UHFFFAOYSA-N
XLogP0.61
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 50.61
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[1-(1-hydroxycyclopentyl)ethyl]oxamide?
The IUPAC name of N,N'-bis[1-(1-hydroxycyclopentyl)ethyl]oxamide (CID 23140865) is N,N'-bis[1-(1-hydroxycyclopentyl)ethyl]oxamide.
What is the SMILES notation for N,N'-bis[1-(1-hydroxycyclopentyl)ethyl]oxamide?
The canonical SMILES for N,N'-bis[1-(1-hydroxycyclopentyl)ethyl]oxamide is CC(NC(=O)C(=O)NC(C)C1(O)CCCC1)C1(O)CCCC1.
What is the InChIKey of N,N'-bis[1-(1-hydroxycyclopentyl)ethyl]oxamide?
The InChIKey is CTGLLNSMLHNTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-11(15(21)7-3-4-8-15)17-13(19)14(20)18-12(2)16(22)9-5-6-10-16/h11-12,21-22H,3-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N,N'-bis[1-(1-hydroxycyclopentyl)ethyl]oxamide?
N,N'-bis[1-(1-hydroxycyclopentyl)ethyl]oxamide has a molecular weight of 312.41 g/mol, XLogP of 0.61, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-(1-hydroxycyclopentyl)ethyl]oxamide is sourced from PubChem (CID 23140865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).