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

C15H21NO4 — CID 19203851

IUPAC2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1cccc(OC(C)C(=O)NCC2CCCO2)c1
InChIInChI=1S/C15H21NO4/c1-11(15(17)16-10-14-7-4-8-19-14)20-13-6-3-5-12(9-13)18-2/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyOVQBQUAKBPFUKW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.76
Rot. Bonds6

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

2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 19203851) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID19203851
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1cccc(OC(C)C(=O)NCC2CCCO2)c1
InChIInChI=1S/C15H21NO4/c1-11(15(17)16-10-14-7-4-8-19-14)20-13-6-3-5-12(9-13)18-2/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyOVQBQUAKBPFUKW-UHFFFAOYSA-N
XLogP1.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
(2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676854
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7394619
(2R)-2-(2,3-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 28984853
(2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 1301403
(2S)-2-(2,3-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42561363
1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 47133588
2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17249245
(2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7354724

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide (CID 19203851) is 2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide is COc1cccc(OC(C)C(=O)NCC2CCCO2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is OVQBQUAKBPFUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(15(17)16-10-14-7-4-8-19-14)20-13-6-3-5-12(9-13)18-2/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide?
2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 19203851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).