N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylbenzamide

C18H21NO2 — CID 51941954

IUPACN-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylbenzamide
SMILESCc1ccc([C@H](O)CNC(=O)c2cccc(C)c2C)cc1
InChIInChI=1S/C18H21NO2/c1-12-7-9-15(10-8-12)17(20)11-19-18(21)16-6-4-5-13(2)14(16)3/h4-10,17,20H,11H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyPTDPRGPUURVUJA-QGZVFWFLSA-N
MW283.37 g/mol
LogP3.08
Rot. Bonds4

About N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylbenzamide

N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylbenzamide (PubChem CID 51941954) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylbenzamide
PubChem CID51941954
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylbenzamide
SMILESCc1ccc([C@H](O)CNC(=O)c2cccc(C)c2C)cc1
InChIInChI=1S/C18H21NO2/c1-12-7-9-15(10-8-12)17(20)11-19-18(21)16-6-4-5-13(2)14(16)3/h4-10,17,20H,11H2,1-3H3,(H,19,21)/t17-/m1/s1
InChIKeyPTDPRGPUURVUJA-QGZVFWFLSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylbenzamide (CID 51941954) is N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylbenzamide is Cc1ccc([C@H](O)CNC(=O)c2cccc(C)c2C)cc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylbenzamide?
The InChIKey is PTDPRGPUURVUJA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-7-9-15(10-8-12)17(20)11-19-18(21)16-6-4-5-13(2)14(16)3/h4-10,17,20H,11H2,1-3H3,(H,19,21)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylbenzamide?
N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylbenzamide has a molecular weight of 283.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 51941954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).