3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide

C16H18N2O2 — CID 60963333

IUPAC3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccccc2O)cc1N
InChIInChI=1S/C16H18N2O2/c1-11-7-8-12(9-14(11)17)16(20)18(2)10-13-5-3-4-6-15(13)19/h3-9,19H,10,17H2,1-2H3
InChIKeyBDJYUWOJYANZJE-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.56
Rot. Bonds3

About 3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide

3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide (PubChem CID 60963333) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
PubChem CID60963333
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccccc2O)cc1N
InChIInChI=1S/C16H18N2O2/c1-11-7-8-12(9-14(11)17)16(20)18(2)10-13-5-3-4-6-15(13)19/h3-9,19H,10,17H2,1-2H3
InChIKeyBDJYUWOJYANZJE-UHFFFAOYSA-N
XLogP2.56
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60937650
3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61027377
3-amino-N-[(2,3-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938036
3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 54906216
3-amino-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61116652
3-amino-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 61094065
3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 43574048
3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60946254
3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 43574101
4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47230441
N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 47290646
4-amino-3-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 104782446

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide (CID 60963333) is 3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)Cc2ccccc2O)cc1N.
What is the InChIKey of 3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide?
The InChIKey is BDJYUWOJYANZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-7-8-12(9-14(11)17)16(20)18(2)10-13-5-3-4-6-15(13)19/h3-9,19H,10,17H2,1-2H3.
What are the key properties of 3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide?
3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 60963333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).