(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C15H21NO4 — CID 925185

IUPAC(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C15H21NO4/c1-11(15(17)16-10-14-4-3-9-19-14)20-13-7-5-12(18-2)6-8-13/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,16,17)/t11-,14-/m0/s1
InChIKeyGOBAIIFKKDOXSS-FZMZJTMJSA-N
MW279.34 g/mol
LogP1.76
Rot. Bonds6

About (2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 925185) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID925185
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C15H21NO4/c1-11(15(17)16-10-14-4-3-9-19-14)20-13-7-5-12(18-2)6-8-13/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,16,17)/t11-,14-/m0/s1
InChIKeyGOBAIIFKKDOXSS-FZMZJTMJSA-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

(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 19203851
(2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 1301403
(2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7354724
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7394619
2-cyclopentyl-2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 110407933
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985
(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7453365
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 133213494
(2R)-2-(2,3-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 28984853
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808
(2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676854

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 925185) is (2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is COc1ccc(O[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is GOBAIIFKKDOXSS-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(15(17)16-10-14-4-3-9-19-14)20-13-7-5-12(18-2)6-8-13/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,16,17)/t11-,14-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]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 (2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 925185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).