3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide

C15H21NO4 — CID 17034638

IUPAC3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1ccc(OCCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H21NO4/c1-18-12-4-6-13(7-5-12)20-10-8-15(17)16-11-14-3-2-9-19-14/h4-7,14H,2-3,8-11H2,1H3,(H,16,17)
InChIKeySMXJCGLVXMUACH-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.76
Rot. Bonds7

About 3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide

3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 17034638) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID17034638
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1ccc(OCCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H21NO4/c1-18-12-4-6-13(7-5-12)20-10-8-15(17)16-11-14-3-2-9-19-14/h4-7,14H,2-3,8-11H2,1H3,(H,16,17)
InChIKeySMXJCGLVXMUACH-UHFFFAOYSA-N
XLogP1.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015917
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113165954
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 8905770
4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide
CID 78774490
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate
CID 4129063
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7419913
2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54820456
3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510409
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
4-(4-methoxy-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 125052199
3-(2-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 51077938

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide (CID 17034638) is 3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide is COc1ccc(OCCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is SMXJCGLVXMUACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-12-4-6-13(7-5-12)20-10-8-15(17)16-11-14-3-2-9-19-14/h4-7,14H,2-3,8-11H2,1H3,(H,16,17).
What are the key properties of 3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide?
3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 17034638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).