2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)propanamide

C12H17NO6 — CID 79869298

IUPAC2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1coc(CO)cc1=O
InChIInChI=1S/C12H17NO6/c1-8(12(16)13-3-4-17-2)19-11-7-18-9(6-14)5-10(11)15/h5,7-8,14H,3-4,6H2,1-2H3,(H,13,16)
InChIKeyUQDBKEQHZAKYPB-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.34
Rot. Bonds7

About 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)propanamide

2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)propanamide (PubChem CID 79869298) has the molecular formula C12H17NO6 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)propanamide
PubChem CID79869298
Molecular FormulaC12H17NO6
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1coc(CO)cc1=O
InChIInChI=1S/C12H17NO6/c1-8(12(16)13-3-4-17-2)19-11-7-18-9(6-14)5-10(11)15/h5,7-8,14H,3-4,6H2,1-2H3,(H,13,16)
InChIKeyUQDBKEQHZAKYPB-UHFFFAOYSA-N
XLogP-0.34
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 43088984
2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide
CID 61313403
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide
CID 78946946
2-[2-(1-hydroxyethyl)-5-methoxyphenoxy]-N-(2-methoxyethyl)propanamide
CID 82003316
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 114320670
2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide
CID 102946475
2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 104707490
2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 103201194
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 43125633
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)propanamide
CID 63651716

Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)propanamide (CID 79869298) is 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1coc(CO)cc1=O.
What is the InChIKey of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)propanamide?
The InChIKey is UQDBKEQHZAKYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6/c1-8(12(16)13-3-4-17-2)19-11-7-18-9(6-14)5-10(11)15/h5,7-8,14H,3-4,6H2,1-2H3,(H,13,16).
What are the key properties of 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)propanamide?
2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)propanamide has a molecular weight of 271.27 g/mol, XLogP of -0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 79869298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).