N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide

C16H17NO2 — CID 64793175

IUPACN-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CO)cc2)cc1C
InChIInChI=1S/C16H17NO2/c1-11-3-6-14(9-12(11)2)16(19)17-15-7-4-13(10-18)5-8-15/h3-9,18H,10H2,1-2H3,(H,17,19)
InChIKeyWPANIYRVNZAAIW-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.05
Rot. Bonds3

About N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide

N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide (PubChem CID 64793175) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide
PubChem CID64793175
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CO)cc2)cc1C
InChIInChI=1S/C16H17NO2/c1-11-3-6-14(9-12(11)2)16(19)17-15-7-4-13(10-18)5-8-15/h3-9,18H,10H2,1-2H3,(H,17,19)
InChIKeyWPANIYRVNZAAIW-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 64792997
N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide
CID 64793166
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium
CID 21440580
3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 893199
3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980349
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide
CID 43185491
N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide
CID 112980469
propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate
CID 708962
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide
CID 3466026
N-(3-amino-4-ethylphenyl)-3,4-dimethylbenzamide
CID 28866890

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide (CID 64793175) is N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(CO)cc2)cc1C.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide?
The InChIKey is WPANIYRVNZAAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-3-6-14(9-12(11)2)16(19)17-15-7-4-13(10-18)5-8-15/h3-9,18H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide?
N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide has a molecular weight of 255.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 64793175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).