3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide

C16H18N2O2 — CID 43734564

IUPAC3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NCc2cccc(O)c2)c1C
InChIInChI=1S/C16H18N2O2/c1-11-14(16(20)17-2)7-4-8-15(11)18-10-12-5-3-6-13(19)9-12/h3-9,18-19H,10H2,1-2H3,(H,17,20)
InChIKeyIROAVQGDIGTSSY-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.67
Rot. Bonds4

About 3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide

3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide (PubChem CID 43734564) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide
PubChem CID43734564
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NCc2cccc(O)c2)c1C
InChIInChI=1S/C16H18N2O2/c1-11-14(16(20)17-2)7-4-8-15(11)18-10-12-5-3-6-13(19)9-12/h3-9,18-19H,10H2,1-2H3,(H,17,20)
InChIKeyIROAVQGDIGTSSY-UHFFFAOYSA-N
XLogP2.67
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-hydroxyphenyl)methylamino]-2-methylbenzamide
CID 43694119
N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43734492
3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide
CID 104853999
3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide
CID 62345277
N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide
CID 62749644
3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide
CID 114936559
3-[[3-(difluoromethyl)phenyl]methylamino]-2-methylbenzoic acid
CID 115526266
3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide
CID 115380075
N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688065
3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide
CID 102833523
N,2-dimethyl-3-(2-methylbutylamino)benzamide
CID 43734491
3-[(3-methoxyphenyl)methylamino]-2-methylbenzoic acid
CID 17059607

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide (CID 43734564) is 3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide is CNC(=O)c1cccc(NCc2cccc(O)c2)c1C.
What is the InChIKey of 3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide?
The InChIKey is IROAVQGDIGTSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-14(16(20)17-2)7-4-8-15(11)18-10-12-5-3-6-13(19)9-12/h3-9,18-19H,10H2,1-2H3,(H,17,20).
What are the key properties of 3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide?
3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide is sourced from PubChem (CID 43734564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).