N-cyclopentyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide

C13H17NO4 — CID 82064576

IUPACN-cyclopentyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCc1occc(=O)c1OCC(=O)NC1CCCC1
InChIInChI=1S/C13H17NO4/c1-9-13(11(15)6-7-17-9)18-8-12(16)14-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H,14,16)
InChIKeyLXOGTWUJFWPIDN-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.39
Rot. Bonds4

About N-cyclopentyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide

N-cyclopentyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (PubChem CID 82064576) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
PubChem CID82064576
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-cyclopentyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCc1occc(=O)c1OCC(=O)NC1CCCC1
InChIInChI=1S/C13H17NO4/c1-9-13(11(15)6-7-17-9)18-8-12(16)14-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H,14,16)
InChIKeyLXOGTWUJFWPIDN-UHFFFAOYSA-N
XLogP1.39
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-ethoxy-4-oxo-4H-pyran-2-carboxamide
CID 30860241
N-cyclopropyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 27378251
N-(3-amino-3-methylpentyl)-3-butoxy-4-oxopyran-2-carboxamide
CID 89080904
3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide
CID 89390543
N-butyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 45537835
N-isopropyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 45537836
N-cyclopentyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 45537840
N-cyclohexyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 45537841
N-cycloheptyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 45537842
5-methoxy-N-octyl-4-oxo-4H-pyran-2-carboxamide
CID 45537881
N-[(1R,3R)-3-aminocyclopentyl]-5-methoxy-4-oxopyran-2-carboxamide
CID 56744300
N-cyclopentyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
CID 79021419

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The IUPAC name of N-cyclopentyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (CID 82064576) is N-cyclopentyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The canonical SMILES for N-cyclopentyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is Cc1occc(=O)c1OCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The InChIKey is LXOGTWUJFWPIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9-13(11(15)6-7-17-9)18-8-12(16)14-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H,14,16).
What are the key properties of N-cyclopentyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
N-cyclopentyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide has a molecular weight of 251.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is sourced from PubChem (CID 82064576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).