(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide

C18H21NO2 — CID 2168120

IUPAC(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
SMILESCc1cc(C)cc(NC(=O)[C@H](C)Oc2cccc(C)c2)c1
InChIInChI=1S/C18H21NO2/c1-12-6-5-7-17(11-12)21-15(4)18(20)19-16-9-13(2)8-14(3)10-16/h5-11,15H,1-4H3,(H,19,20)/t15-/m0/s1
InChIKeyCJOLCRKAUBFJOO-HNNXBMFYSA-N
MW283.37 g/mol
LogP4.02
Rot. Bonds4

About (2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide

(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide (PubChem CID 2168120) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
PubChem CID2168120
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
SMILESCc1cc(C)cc(NC(=O)[C@H](C)Oc2cccc(C)c2)c1
InChIInChI=1S/C18H21NO2/c1-12-6-5-7-17(11-12)21-15(4)18(20)19-16-9-13(2)8-14(3)10-16/h5-11,15H,1-4H3,(H,19,20)/t15-/m0/s1
InChIKeyCJOLCRKAUBFJOO-HNNXBMFYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide
CID 4928504
(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771480
(2R)-N-(3-acetamidophenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 29464050
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
(2R)-N-(3-bromophenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 1225320
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440
(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7925185
2-(3-methylphenoxy)-N-pyridin-3-ylpropanamide
CID 6471992
(2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 7610576

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide (CID 2168120) is (2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide is Cc1cc(C)cc(NC(=O)[C@H](C)Oc2cccc(C)c2)c1.
What is the InChIKey of (2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide?
The InChIKey is CJOLCRKAUBFJOO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-6-5-7-17(11-12)21-15(4)18(20)19-16-9-13(2)8-14(3)10-16/h5-11,15H,1-4H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide?
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide has a molecular weight of 283.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 2168120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).