N-[(4-methoxyphenyl)methyl]-4-methylbenzamide

C16H17NO2 — CID 720058

IUPACN-[(4-methoxyphenyl)methyl]-4-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H17NO2/c1-12-3-7-14(8-4-12)16(18)17-11-13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyCIAHIBOMLHLCNR-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.93
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-4-methylbenzamide

N-[(4-methoxyphenyl)methyl]-4-methylbenzamide (PubChem CID 720058) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-methylbenzamide
PubChem CID720058
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H17NO2/c1-12-3-7-14(8-4-12)16(18)17-11-13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyCIAHIBOMLHLCNR-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methylbenzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methylbenzamide (CID 720058) is N-[(4-methoxyphenyl)methyl]-4-methylbenzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-methylbenzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-methylbenzamide is COc1ccc(CNC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-methylbenzamide?
The InChIKey is CIAHIBOMLHLCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-3-7-14(8-4-12)16(18)17-11-13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-methylbenzamide?
N-[(4-methoxyphenyl)methyl]-4-methylbenzamide has a molecular weight of 255.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 720058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).