N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide

C17H19NO2 — CID 61222500

IUPACN-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(CCO)cc2)c1C
InChIInChI=1S/C17H19NO2/c1-12-4-3-5-16(13(12)2)17(20)18-15-8-6-14(7-9-15)10-11-19/h3-9,19H,10-11H2,1-2H3,(H,18,20)
InChIKeyLQXZNGZXXROAED-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.09
Rot. Bonds4

About N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide

N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide (PubChem CID 61222500) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide
PubChem CID61222500
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(CCO)cc2)c1C
InChIInChI=1S/C17H19NO2/c1-12-4-3-5-16(13(12)2)17(20)18-15-8-6-14(7-9-15)10-11-19/h3-9,19H,10-11H2,1-2H3,(H,18,20)
InChIKeyLQXZNGZXXROAED-UHFFFAOYSA-N
XLogP3.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide
CID 61223601
N-[4-(2-chloroethyl)phenyl]-2,3-dimethylbenzamide
CID 114299174
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 61221414
2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid
CID 61236618
4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide
CID 103865733
2,3-dimethyl-N-pyridin-4-ylbenzamide
CID 27700072
N-(3,4-dimethylphenyl)-2,3-dimethylbenzamide
CID 26593883
N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide
CID 28754496
N-(4-cyanophenyl)-2,3-dimethylbenzamide
CID 24705905
2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 81477426
3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 81002508
2,3-dimethyl-N-(4-sulfamoylphenyl)benzamide
CID 2814172

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide (CID 61222500) is N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)Nc2ccc(CCO)cc2)c1C.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide?
The InChIKey is LQXZNGZXXROAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-4-3-5-16(13(12)2)17(20)18-15-8-6-14(7-9-15)10-11-19/h3-9,19H,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide?
N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide has a molecular weight of 269.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 61222500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).