3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide

C18H21NO3 — CID 111448156

IUPAC3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide
SMILESCc1cccc(C)c1COc1cccc(C(=O)NCCO)c1
InChIInChI=1S/C18H21NO3/c1-13-5-3-6-14(2)17(13)12-22-16-8-4-7-15(11-16)18(21)19-9-10-20/h3-8,11,20H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyWMYYTDAFTQURLN-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.60
Rot. Bonds6

About 3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide

3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide (PubChem CID 111448156) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide
PubChem CID111448156
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide
SMILESCc1cccc(C)c1COc1cccc(C(=O)NCCO)c1
InChIInChI=1S/C18H21NO3/c1-13-5-3-6-14(2)17(13)12-22-16-8-4-7-15(11-16)18(21)19-9-10-20/h3-8,11,20H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyWMYYTDAFTQURLN-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-N-(2-hydroxyethyl)acetamide
CID 15949136
N-(2-hydroxyethyl)-3-prop-2-ynoxybenzamide
CID 154752881
N-(2-hydroxyethyl)-3-(1,2-oxazol-3-ylmethoxy)benzamide
CID 111448157
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113100732
N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide
CID 106842963
ethyl 2-[3-(2-iodoethylcarbamoyl)phenoxy]acetate
CID 129027228
N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide
CID 111432837
N-(2-hydroxyethyl)-3,5-bis(phenylmethoxy)benzamide
CID 171338561
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide (CID 111448156) is 3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide is Cc1cccc(C)c1COc1cccc(C(=O)NCCO)c1.
What is the InChIKey of 3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide?
The InChIKey is WMYYTDAFTQURLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-5-3-6-14(2)17(13)12-22-16-8-4-7-15(11-16)18(21)19-9-10-20/h3-8,11,20H,9-10,12H2,1-2H3,(H,19,21).
What are the key properties of 3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide?
3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide has a molecular weight of 299.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 111448156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).