4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide

C17H30N2O3 — CID 71857143

IUPAC4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide
SMILESCCC(CC)NC(=O)C1CC(=O)CC1C(=O)NC(CC)CC
InChIInChI=1S/C17H30N2O3/c1-5-11(6-2)18-16(21)14-9-13(20)10-15(14)17(22)19-12(7-3)8-4/h11-12,14-15H,5-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyXNSZALWGGPPYFC-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.19
Rot. Bonds8

About 4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide

4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide (PubChem CID 71857143) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide.

Molecular Properties

Compound Name4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide
PubChem CID71857143
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide
SMILESCCC(CC)NC(=O)C1CC(=O)CC1C(=O)NC(CC)CC
InChIInChI=1S/C17H30N2O3/c1-5-11(6-2)18-16(21)14-9-13(20)10-15(14)17(22)19-12(7-3)8-4/h11-12,14-15H,5-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyXNSZALWGGPPYFC-UHFFFAOYSA-N
XLogP2.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide?
The IUPAC name of 4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide (CID 71857143) is 4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide.
What is the SMILES notation for 4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide?
The canonical SMILES for 4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide is CCC(CC)NC(=O)C1CC(=O)CC1C(=O)NC(CC)CC.
What is the InChIKey of 4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide?
The InChIKey is XNSZALWGGPPYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-5-11(6-2)18-16(21)14-9-13(20)10-15(14)17(22)19-12(7-3)8-4/h11-12,14-15H,5-10H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of 4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide?
4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide has a molecular weight of 310.44 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide is sourced from PubChem (CID 71857143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).