(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide

C19H23NO2 — CID 28574303

IUPAC(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)c1C
InChIInChI=1S/C19H23NO2/c1-12-8-6-10-17(14(12)3)20-19(21)16(5)22-18-11-7-9-13(2)15(18)4/h6-11,16H,1-5H3,(H,20,21)/t16-/m0/s1
InChIKeyLAURCYQNLXNEPS-INIZCTEOSA-N
MW297.40 g/mol
LogP4.33
Rot. Bonds4

About (2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide

(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide (PubChem CID 28574303) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
PubChem CID28574303
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)c1C
InChIInChI=1S/C19H23NO2/c1-12-8-6-10-17(14(12)3)20-19(21)16(5)22-18-11-7-9-13(2)15(18)4/h6-11,16H,1-5H3,(H,20,21)/t16-/m0/s1
InChIKeyLAURCYQNLXNEPS-INIZCTEOSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 43907389
(2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 891226
(2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 7668733
(2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 94027584
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide
CID 53266753
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733033
(2R)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733032
N-(4-amino-2-methylphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 16790293
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 837792
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789567
N-(2,6-difluorophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43915329

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide (CID 28574303) is (2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)c1C.
What is the InChIKey of (2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is LAURCYQNLXNEPS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23NO2/c1-12-8-6-10-17(14(12)3)20-19(21)16(5)22-18-11-7-9-13(2)15(18)4/h6-11,16H,1-5H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide?
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 297.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 28574303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).