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

C12H17NO4 — CID 82064564

IUPACN-butyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCCCCNC(=O)COc1c(C)occc1=O
InChIInChI=1S/C12H17NO4/c1-3-4-6-13-11(15)8-17-12-9(2)16-7-5-10(12)14/h5,7H,3-4,6,8H2,1-2H3,(H,13,15)
InChIKeyKFWGGHQXSJTRPC-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.24
Rot. Bonds6

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

N-butyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (PubChem CID 82064564) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-butyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-butyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
PubChem CID82064564
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-butyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCCCCNC(=O)COc1c(C)occc1=O
InChIInChI=1S/C12H17NO4/c1-3-4-6-13-11(15)8-17-12-9(2)16-7-5-10(12)14/h5,7H,3-4,6,8H2,1-2H3,(H,13,15)
InChIKeyKFWGGHQXSJTRPC-UHFFFAOYSA-N
XLogP1.24
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 82064511
2-methyl-3-(2-methylprop-2-enoxy)pyran-4-one
CID 82064655
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
4-[2-(butylamino)-2-oxoethoxy]benzoic acid
CID 22645381
N-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide
CID 56758649
methyl 2-[4-[2-(butylamino)-2-oxoethoxy]phenyl]acetate
CID 112786526
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-butyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652513
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-butylacetamide
CID 107741383
5-[2-(butylamino)-2-oxoethoxy]-2-methylbenzoic acid
CID 82165953
3-butoxy-4-oxopyran-2-carboxylic acid
CID 87065598
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The IUPAC name of N-butyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (CID 82064564) is N-butyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.
What is the SMILES notation for N-butyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The canonical SMILES for N-butyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is CCCCNC(=O)COc1c(C)occc1=O.
What is the InChIKey of N-butyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The InChIKey is KFWGGHQXSJTRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-4-6-13-11(15)8-17-12-9(2)16-7-5-10(12)14/h5,7H,3-4,6,8H2,1-2H3,(H,13,15).
What are the key properties of N-butyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
N-butyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide has a molecular weight of 239.27 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is sourced from PubChem (CID 82064564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).