3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide

C19H24N2O2 — CID 110906218

IUPAC3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1ccc(CNc2cccc(C(=O)NCCO)c2C)c(C)c1
InChIInChI=1S/C19H24N2O2/c1-13-7-8-16(14(2)11-13)12-21-18-6-4-5-17(15(18)3)19(23)20-9-10-22/h4-8,11,21-22H,9-10,12H2,1-3H3,(H,20,23)
InChIKeyWNKBKYIRHLZMDW-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.95
Rot. Bonds6

About 3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide

3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 110906218) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
PubChem CID110906218
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1ccc(CNc2cccc(C(=O)NCCO)c2C)c(C)c1
InChIInChI=1S/C19H24N2O2/c1-13-7-8-16(14(2)11-13)12-21-18-6-4-5-17(15(18)3)19(23)20-9-10-22/h4-8,11,21-22H,9-10,12H2,1-3H3,(H,20,23)
InChIKeyWNKBKYIRHLZMDW-UHFFFAOYSA-N
XLogP2.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906159
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 109480053
N-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide
CID 111778028
3-[(3-chloro-4-fluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 109480054
3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide
CID 104853999
3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906161
3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71913623
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906152
[2-[(2,4-dimethylphenyl)methylamino]phenyl]methanol
CID 43743124
3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110011419
N-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide
CID 110018799
methyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-methylbenzoate
CID 100717665

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide (CID 110906218) is 3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide is Cc1ccc(CNc2cccc(C(=O)NCCO)c2C)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is WNKBKYIRHLZMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-7-8-16(14(2)11-13)12-21-18-6-4-5-17(15(18)3)19(23)20-9-10-22/h4-8,11,21-22H,9-10,12H2,1-3H3,(H,20,23).
What are the key properties of 3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide?
3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 312.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 110906218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).