(2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide

C18H21NO2 — CID 7610576

IUPAC(2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H21NO2/c1-12-6-5-7-16(10-12)19-18(20)15(4)21-17-9-8-13(2)14(3)11-17/h5-11,15H,1-4H3,(H,19,20)/t15-/m0/s1
InChIKeyVXBYPZYHRHUKMM-HNNXBMFYSA-N
MW283.37 g/mol
LogP4.02
Rot. Bonds4

About (2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide

(2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide (PubChem CID 7610576) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
PubChem CID7610576
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H21NO2/c1-12-6-5-7-16(10-12)19-18(20)15(4)21-17-9-8-13(2)14(3)11-17/h5-11,15H,1-4H3,(H,19,20)/t15-/m0/s1
InChIKeyVXBYPZYHRHUKMM-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

(2S)-N-(3-bromophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 9172441
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
2-(3,4-dimethylphenoxy)-N-(3-hydroxyphenyl)propanamide
CID 17342123
N-(3-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 17171686
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 21367472
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
(2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 890062
2-(3,4-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide
CID 133211034
(2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 9173242
(2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 7788153

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide?
The IUPAC name of (2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide (CID 7610576) is (2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1.
What is the InChIKey of (2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide?
The InChIKey is VXBYPZYHRHUKMM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-6-5-7-16(10-12)19-18(20)15(4)21-17-9-8-13(2)14(3)11-17/h5-11,15H,1-4H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide?
(2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)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)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 7610576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).