(2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C15H20ClNO3 — CID 725864

IUPAC(2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCc1cc(Cl)ccc1O[C@H](C)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C15H20ClNO3/c1-10-8-12(16)5-6-14(10)20-11(2)15(18)17-9-13-4-3-7-19-13/h5-6,8,11,13H,3-4,7,9H2,1-2H3,(H,17,18)/t11-,13+/m1/s1
InChIKeyTYGRIAGJNRUJDF-YPMHNXCESA-N
MW297.78 g/mol
LogP2.71
Rot. Bonds5

About (2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

(2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 725864) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is (2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID725864
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name(2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCc1cc(Cl)ccc1O[C@H](C)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C15H20ClNO3/c1-10-8-12(16)5-6-14(10)20-11(2)15(18)17-9-13-4-3-7-19-13/h5-6,8,11,13H,3-4,7,9H2,1-2H3,(H,17,18)/t11-,13+/m1/s1
InChIKeyTYGRIAGJNRUJDF-YPMHNXCESA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
CID 86921283
2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 4512257
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7394619
(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)-2-(2,3-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 28984853
4-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)butanamide
CID 2862808
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide
CID 2932831
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 19203851

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 725864) is (2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of (2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is TYGRIAGJNRUJDF-YPMHNXCESA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10-8-12(16)5-6-14(10)20-11(2)15(18)17-9-13-4-3-7-19-13/h5-6,8,11,13H,3-4,7,9H2,1-2H3,(H,17,18)/t11-,13+/m1/s1.
What are the key properties of (2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
(2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 297.78 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 725864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).