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

C17H30N2O3 — CID 96536972

IUPACtrans-(1S,2S)-4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide
SMILESCCC(CC)NC(=O)[C@H]1CC(=O)C[C@@H]1C(=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)/t14-,15-/m0/s1
InChIKeyXNSZALWGGPPYFC-GJZGRUSLSA-N
MW310.44 g/mol
LogP2.19
Rot. Bonds8

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

trans-(1S,2S)-4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide (PubChem CID 96536972) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is trans-(1S,2S)-4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide
PubChem CID96536972
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametrans-(1S,2S)-4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide
SMILESCCC(CC)NC(=O)[C@H]1CC(=O)C[C@@H]1C(=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)/t14-,15-/m0/s1
InChIKeyXNSZALWGGPPYFC-GJZGRUSLSA-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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Related Compounds

(3S)-3-[(2S)-2-Amino-3-oxobutyl]pyrrolidin-2-one
CID 16214837
4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide
CID 71857143
2,4-diacetyl-3-N-methyl-1-N-(4-methylcyclohexyl)cyclobutane-1,3-dicarboxamide
CID 18342011
1-N,2-N-bis(2-ethylhexyl)cyclopentane-1,2-dicarboxamide
CID 20752259
3-(2-Amino-3-oxobutyl)pyrrolidin-2-one
CID 22980710
3-[2-(Methylamino)-3-oxobutyl]pyrrolidin-2-one
CID 22980711
(1S)-1-N-deuterio-2-N-methyl-4-oxocyclopentane-1,2-dicarboxamide
CID 57590366
trans-(1S,2S)-1-N-deuterio-2-N-methyl-4-oxocyclopentane-1,2-dicarboxamide
CID 57926435
5-(2-Butanoylcyclopentanecarbonyl)pyrrolidin-2-one
CID 58101977
2-[1-(2-oxopropyl)cyclopentyl]-N-propan-2-ylacetamide
CID 58728352
N-ethyl-2-(5-oxopyrrolidine-2-carbonyl)cyclopentane-1-carboxamide
CID 58771444
(4S)-4-acetamido-6-methyl-5-oxoheptanamide
CID 58842024

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide?
The IUPAC name of trans-(1S,2S)-4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide (CID 96536972) is trans-(1S,2S)-4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide.
What is the SMILES notation for trans-(1S,2S)-4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide?
The canonical SMILES for trans-(1S,2S)-4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide is CCC(CC)NC(=O)[C@H]1CC(=O)C[C@@H]1C(=O)NC(CC)CC.
What is the InChIKey of trans-(1S,2S)-4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide?
The InChIKey is XNSZALWGGPPYFC-GJZGRUSLSA-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)/t14-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide?
trans-(1S,2S)-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 trans-(1S,2S)-4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide is sourced from PubChem (CID 96536972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).