N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide

C18H21NO2 — CID 111119847

IUPACN-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(O)c2ccccc2C)c1
InChIInChI=1S/C18H21NO2/c1-12-8-13(2)10-15(9-12)18(21)19-11-17(20)16-7-5-4-6-14(16)3/h4-10,17,20H,11H2,1-3H3,(H,19,21)
InChIKeyGYTYWVYZPUBDQI-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.08
Rot. Bonds4

About N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide (PubChem CID 111119847) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
PubChem CID111119847
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(O)c2ccccc2C)c1
InChIInChI=1S/C18H21NO2/c1-12-8-13(2)10-15(9-12)18(21)19-11-17(20)16-7-5-4-6-14(16)3/h4-10,17,20H,11H2,1-3H3,(H,19,21)
InChIKeyGYTYWVYZPUBDQI-UHFFFAOYSA-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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Related Compounds

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477571
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 90598696
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
CID 111578636
N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide
CID 96530833
N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 111120128
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 111119709
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 111119910
2-amino-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methyl-3-nitrobenzamide
CID 111119934
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 111423679
N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide
CID 166405126
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 119784439

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide (CID 111119847) is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(O)c2ccccc2C)c1.
What is the InChIKey of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide?
The InChIKey is GYTYWVYZPUBDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-8-13(2)10-15(9-12)18(21)19-11-17(20)16-7-5-4-6-14(16)3/h4-10,17,20H,11H2,1-3H3,(H,19,21).
What are the key properties of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide?
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-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-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 111119847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).