3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide

C19H22N2O3 — CID 95706566

IUPAC3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(N)=O)c2C)c(C)c1
InChIInChI=1S/C19H22N2O3/c1-11-8-9-17(12(2)10-11)24-14(4)19(23)21-16-7-5-6-15(13(16)3)18(20)22/h5-10,14H,1-4H3,(H2,20,22)(H,21,23)/t14-/m0/s1
InChIKeyFZXJWMJKDHMDAS-AWEZNQCLSA-N
MW326.40 g/mol
LogP3.12
Rot. Bonds5

About 3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide

3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide (PubChem CID 95706566) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide
PubChem CID95706566
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(N)=O)c2C)c(C)c1
InChIInChI=1S/C19H22N2O3/c1-11-8-9-17(12(2)10-11)24-14(4)19(23)21-16-7-5-6-15(13(16)3)18(20)22/h5-10,14H,1-4H3,(H2,20,22)(H,21,23)/t14-/m0/s1
InChIKeyFZXJWMJKDHMDAS-AWEZNQCLSA-N
XLogP3.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 16781926
ethyl 3-[2-(2,5-dimethylphenoxy)propanoylamino]-2-methylbenzoate
CID 132653597
(2R)-N-(2-bromophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 837584
3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-2-methylbenzamide
CID 53288807
3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide
CID 53281948
3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide
CID 53284293
(2S)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837580
(2R)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837579
3-[2-(4-chlorophenoxy)propanoylamino]-2-methylbenzamide
CID 53282389
3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide
CID 34584016
N-[(2S)-butan-2-yl]-2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
CID 9173023
3-[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]carbamoylamino]-2-methylbenzamide
CID 97456251

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide?
The IUPAC name of 3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide (CID 95706566) is 3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide.
What is the SMILES notation for 3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide?
The canonical SMILES for 3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide is Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(N)=O)c2C)c(C)c1.
What is the InChIKey of 3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide?
The InChIKey is FZXJWMJKDHMDAS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-11-8-9-17(12(2)10-11)24-14(4)19(23)21-16-7-5-6-15(13(16)3)18(20)22/h5-10,14H,1-4H3,(H2,20,22)(H,21,23)/t14-/m0/s1.
What are the key properties of 3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide?
3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]-2-methylbenzamide is sourced from PubChem (CID 95706566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).