(2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide

C16H23NO4 — CID 92676854

IUPAC(2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
SMILESCC[C@H](Oc1cccc(OC)c1)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C16H23NO4/c1-3-15(16(18)17-11-14-8-5-9-20-14)21-13-7-4-6-12(10-13)19-2/h4,6-7,10,14-15H,3,5,8-9,11H2,1-2H3,(H,17,18)/t14-,15+/m1/s1
InChIKeyFQNUDGAGYUURNI-CABCVRRESA-N
MW293.36 g/mol
LogP2.15
Rot. Bonds7

About (2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide

(2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide (PubChem CID 92676854) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
PubChem CID92676854
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
SMILESCC[C@H](Oc1cccc(OC)c1)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C16H23NO4/c1-3-15(16(18)17-11-14-8-5-9-20-14)21-13-7-4-6-12(10-13)19-2/h4,6-7,10,14-15H,3,5,8-9,11H2,1-2H3,(H,17,18)/t14-,15+/m1/s1
InChIKeyFQNUDGAGYUURNI-CABCVRRESA-N
XLogP2.15
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 19203851
2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 28577313
(2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 93487213
(2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676912
2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide
CID 43907567
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
(2S)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-methoxyphenoxy)butanamide
CID 100580391
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
N-cyclooctyl-2-(3-methoxyphenoxy)butanamide
CID 46769347
1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 47133588
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985
[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate
CID 1470028

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The IUPAC name of (2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide (CID 92676854) is (2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide.
What is the SMILES notation for (2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The canonical SMILES for (2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide is CC[C@H](Oc1cccc(OC)c1)C(=O)NC[C@H]1CCCO1.
What is the InChIKey of (2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The InChIKey is FQNUDGAGYUURNI-CABCVRRESA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-15(16(18)17-11-14-8-5-9-20-14)21-13-7-4-6-12(10-13)19-2/h4,6-7,10,14-15H,3,5,8-9,11H2,1-2H3,(H,17,18)/t14-,15+/m1/s1.
What are the key properties of (2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
(2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide has a molecular weight of 293.36 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide is sourced from PubChem (CID 92676854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).