(2S,3S)-N-(2,3-dimethylphenyl)-2-hydroxy-3-(4-methylphenyl)butanamide

C19H23NO2 — CID 97250492

IUPAC(2S,3S)-N-(2,3-dimethylphenyl)-2-hydroxy-3-(4-methylphenyl)butanamide
SMILESCc1ccc([C@H](C)[C@H](O)C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C19H23NO2/c1-12-8-10-16(11-9-12)15(4)18(21)19(22)20-17-7-5-6-13(2)14(17)3/h5-11,15,18,21H,1-4H3,(H,20,22)/t15-,18-/m0/s1
InChIKeyPHFCNMHYVURLJJ-YJBOKZPZSA-N
MW297.40 g/mol
LogP3.71
Rot. Bonds4

About (2S,3S)-N-(2,3-dimethylphenyl)-2-hydroxy-3-(4-methylphenyl)butanamide

(2S,3S)-N-(2,3-dimethylphenyl)-2-hydroxy-3-(4-methylphenyl)butanamide (PubChem CID 97250492) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2S,3S)-N-(2,3-dimethylphenyl)-2-hydroxy-3-(4-methylphenyl)butanamide.

Molecular Properties

Compound Name(2S,3S)-N-(2,3-dimethylphenyl)-2-hydroxy-3-(4-methylphenyl)butanamide
PubChem CID97250492
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2S,3S)-N-(2,3-dimethylphenyl)-2-hydroxy-3-(4-methylphenyl)butanamide
SMILESCc1ccc([C@H](C)[C@H](O)C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C19H23NO2/c1-12-8-10-16(11-9-12)15(4)18(21)19(22)20-17-7-5-6-13(2)14(17)3/h5-11,15,18,21H,1-4H3,(H,20,22)/t15-,18-/m0/s1
InChIKeyPHFCNMHYVURLJJ-YJBOKZPZSA-N
XLogP3.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3-(4-methylphenyl)-N-(2-propan-2-ylsulfanylphenyl)butanamide
CID 167804143
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
N-[1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4797784
N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide
CID 3393245
1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)propan-2-yl]urea
CID 70615302
2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 106590698
2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-methylbutanamide
CID 3680613
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
N-(2,3-dimethylphenyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537151
2-amino-N-(2,3-dimethylphenyl)-2-phenylacetamide
CID 24694954
S-[1-(2,3-dimethylanilino)-1-oxopropan-2-yl] carbamothioate
CID 23765487
1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 17263304

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(2,3-dimethylphenyl)-2-hydroxy-3-(4-methylphenyl)butanamide?
The IUPAC name of (2S,3S)-N-(2,3-dimethylphenyl)-2-hydroxy-3-(4-methylphenyl)butanamide (CID 97250492) is (2S,3S)-N-(2,3-dimethylphenyl)-2-hydroxy-3-(4-methylphenyl)butanamide.
What is the SMILES notation for (2S,3S)-N-(2,3-dimethylphenyl)-2-hydroxy-3-(4-methylphenyl)butanamide?
The canonical SMILES for (2S,3S)-N-(2,3-dimethylphenyl)-2-hydroxy-3-(4-methylphenyl)butanamide is Cc1ccc([C@H](C)[C@H](O)C(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of (2S,3S)-N-(2,3-dimethylphenyl)-2-hydroxy-3-(4-methylphenyl)butanamide?
The InChIKey is PHFCNMHYVURLJJ-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H23NO2/c1-12-8-10-16(11-9-12)15(4)18(21)19(22)20-17-7-5-6-13(2)14(17)3/h5-11,15,18,21H,1-4H3,(H,20,22)/t15-,18-/m0/s1.
What are the key properties of (2S,3S)-N-(2,3-dimethylphenyl)-2-hydroxy-3-(4-methylphenyl)butanamide?
(2S,3S)-N-(2,3-dimethylphenyl)-2-hydroxy-3-(4-methylphenyl)butanamide has a molecular weight of 297.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(2,3-dimethylphenyl)-2-hydroxy-3-(4-methylphenyl)butanamide is sourced from PubChem (CID 97250492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).