N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide

C16H17NO3 — CID 64793166

IUPACN-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2ccc(CO)cc2)ccc1C
InChIInChI=1S/C16H17NO3/c1-11-3-6-13(9-15(11)20-2)16(19)17-14-7-4-12(10-18)5-8-14/h3-9,18H,10H2,1-2H3,(H,17,19)
InChIKeyWPOPKRAATIMRLG-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.75
Rot. Bonds4

About N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide

N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide (PubChem CID 64793166) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide
PubChem CID64793166
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2ccc(CO)cc2)ccc1C
InChIInChI=1S/C16H17NO3/c1-11-3-6-13(9-15(11)20-2)16(19)17-14-7-4-12(10-18)5-8-14/h3-9,18H,10H2,1-2H3,(H,17,19)
InChIKeyWPOPKRAATIMRLG-UHFFFAOYSA-N
XLogP2.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide
CID 64793175
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 64792997
3-methoxy-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 26585658
N-(3,5-dimethoxyphenyl)-3-methoxy-4-methylbenzamide
CID 16619720
2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253822
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
trans-(1R,2R)-2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]cyclopropane-1-carboxylic acid
CID 154806151
3-methoxy-4-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46456572
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide
CID 114299823
N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide
CID 126186357

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide (CID 64793166) is N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)Nc2ccc(CO)cc2)ccc1C.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide?
The InChIKey is WPOPKRAATIMRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-3-6-13(9-15(11)20-2)16(19)17-14-7-4-12(10-18)5-8-14/h3-9,18H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide?
N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide has a molecular weight of 271.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 64793166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).