N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide

C16H17NO2 — CID 103769243

IUPACN-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCc1cccc(O)c1
InChIInChI=1S/C16H17NO2/c1-11-5-3-6-12(2)15(11)16(19)17-10-13-7-4-8-14(18)9-13/h3-9,18H,10H2,1-2H3,(H,17,19)
InChIKeyFZUUYDPQBXPPJH-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.94
Rot. Bonds3

About N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide

N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide (PubChem CID 103769243) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide
PubChem CID103769243
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCc1cccc(O)c1
InChIInChI=1S/C16H17NO2/c1-11-5-3-6-12(2)15(11)16(19)17-10-13-7-4-8-14(18)9-13/h3-9,18H,10H2,1-2H3,(H,17,19)
InChIKeyFZUUYDPQBXPPJH-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-2,4-dimethylbenzamide
CID 47292289
N-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 47292096
4-[[(2,6-dimethylbenzoyl)amino]methyl]benzoic acid
CID 103925447
(2S)-3-amino-2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]-2,6-dimethylbenzoyl]amino]propanoic acid
CID 68819430
2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide
CID 79795606
N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 47292120
N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide
CID 47292127
N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide
CID 107999896
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide
CID 61102170
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292199
N-[(3-hydroxyphenyl)methyl]-2-methyl-2-phenylpropanamide
CID 61018708

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide (CID 103769243) is N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)NCc1cccc(O)c1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide?
The InChIKey is FZUUYDPQBXPPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-5-3-6-12(2)15(11)16(19)17-10-13-7-4-8-14(18)9-13/h3-9,18H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide?
N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide has a molecular weight of 255.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 103769243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).