3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

C16H23NO4 — CID 103848868

IUPAC3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESCc1ccc(OCCC(=O)NCC2(O)CCOC2)c(C)c1
InChIInChI=1S/C16H23NO4/c1-12-3-4-14(13(2)9-12)21-7-5-15(18)17-10-16(19)6-8-20-11-16/h3-4,9,19H,5-8,10-11H2,1-2H3,(H,17,18)
InChIKeyOFZPPIAVMLBOAG-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.34
Rot. Bonds6

About 3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (PubChem CID 103848868) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
PubChem CID103848868
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESCc1ccc(OCCC(=O)NCC2(O)CCOC2)c(C)c1
InChIInChI=1S/C16H23NO4/c1-12-3-4-14(13(2)9-12)21-7-5-15(18)17-10-16(19)6-8-20-11-16/h3-4,9,19H,5-8,10-11H2,1-2H3,(H,17,18)
InChIKeyOFZPPIAVMLBOAG-UHFFFAOYSA-N
XLogP1.34
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120888493
N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide
CID 111539630
N-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide
CID 106102852
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79037091
(E)-3-(2,4-dimethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]prop-2-enamide
CID 103849225
4-[[3-(2,3,5-trimethylphenoxy)propanoylamino]methyl]oxane-4-carboxamide
CID 56783010
3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 65113922
3-(2,4-dimethylphenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 103771125
3-(2,4-dimethylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103730620
3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101366
N-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride
CID 119497520
2-(2,4-dimethoxyphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849339

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (CID 103848868) is 3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is Cc1ccc(OCCC(=O)NCC2(O)CCOC2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The InChIKey is OFZPPIAVMLBOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12-3-4-14(13(2)9-12)21-7-5-15(18)17-10-16(19)6-8-20-11-16/h3-4,9,19H,5-8,10-11H2,1-2H3,(H,17,18).
What are the key properties of 3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide has a molecular weight of 293.36 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 103848868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).