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

C17H25NO3 — CID 92676912

IUPAC(2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C17H25NO3/c1-4-15(17(19)18-11-14-8-6-10-20-14)21-16-9-5-7-12(2)13(16)3/h5,7,9,14-15H,4,6,8,10-11H2,1-3H3,(H,18,19)/t14-,15+/m1/s1
InChIKeyHLEUTIOZJULMCL-CABCVRRESA-N
MW291.39 g/mol
LogP2.76
Rot. Bonds6

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

(2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide (PubChem CID 92676912) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
PubChem CID92676912
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C17H25NO3/c1-4-15(17(19)18-11-14-8-6-10-20-14)21-16-9-5-7-12(2)13(16)3/h5,7,9,14-15H,4,6,8,10-11H2,1-3H3,(H,18,19)/t14-,15+/m1/s1
InChIKeyHLEUTIOZJULMCL-CABCVRRESA-N
XLogP2.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,3-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 28984853
2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide
CID 43907567
2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92673431
(2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676854
(2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 93487213
(2R)-N-cyclopentyl-2-(2,3-dimethylphenoxy)butanamide
CID 92677449
1-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8767532
(2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide
CID 94027154
2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62573039
(2S)-2-(2,3-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42561363
2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17249245
[(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-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide (CID 92676912) is (2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide.
What is the SMILES notation for (2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The canonical SMILES for (2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide is CC[C@H](Oc1cccc(C)c1C)C(=O)NC[C@H]1CCCO1.
What is the InChIKey of (2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
The InChIKey is HLEUTIOZJULMCL-CABCVRRESA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-15(17(19)18-11-14-8-6-10-20-14)21-16-9-5-7-12(2)13(16)3/h5,7,9,14-15H,4,6,8,10-11H2,1-3H3,(H,18,19)/t14-,15+/m1/s1.
What are the key properties of (2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide?
(2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide has a molecular weight of 291.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide is sourced from PubChem (CID 92676912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).