(2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide

C19H23NO3 — CID 92678107

IUPAC(2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCOc1cccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1
InChIInChI=1S/C19H23NO3/c1-12-9-13(2)14(3)18(10-12)23-15(4)19(21)20-16-7-6-8-17(11-16)22-5/h6-11,15H,1-5H3,(H,20,21)/t15-/m0/s1
InChIKeyDGEHQROFQXJWCZ-HNNXBMFYSA-N
MW313.40 g/mol
LogP4.03
Rot. Bonds5

About (2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide

(2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 92678107) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID92678107
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCOc1cccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1
InChIInChI=1S/C19H23NO3/c1-12-9-13(2)14(3)18(10-12)23-15(4)19(21)20-16-7-6-8-17(11-16)22-5/h6-11,15H,1-5H3,(H,20,21)/t15-/m0/s1
InChIKeyDGEHQROFQXJWCZ-HNNXBMFYSA-N
XLogP4.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate
CID 43885235
(2R)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94016158
(2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94016157
(2R)-N-(3-methoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 95310662
2-(2,6-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 4958482
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 38013113
(2R)-N-(2,5-dimethoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 30397117
(2R)-2-(2-ethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 92671770
(2S)-2-(2-methylphenoxy)-N-[3-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019898
(2R)-N-(3-chloro-4-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 99952466
(2R)-N-(3,4-difluorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 38261962
2-(4-acetamidophenoxy)-N-(3-methoxyphenyl)propanamide
CID 4884235

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide (CID 92678107) is (2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide is COc1cccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1.
What is the InChIKey of (2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is DGEHQROFQXJWCZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-12-9-13(2)14(3)18(10-12)23-15(4)19(21)20-16-7-6-8-17(11-16)22-5/h6-11,15H,1-5H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide?
(2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 313.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 92678107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).