N-benzyl-4-methoxy-3-methylbenzamide

C16H17NO2 — CID 17018002

IUPACN-benzyl-4-methoxy-3-methylbenzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2)cc1C
InChIInChI=1S/C16H17NO2/c1-12-10-14(8-9-15(12)19-2)16(18)17-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyPICVOYIOWNSGQI-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.93
Rot. Bonds4

About N-benzyl-4-methoxy-3-methylbenzamide

N-benzyl-4-methoxy-3-methylbenzamide (PubChem CID 17018002) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-benzyl-4-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-methoxy-3-methylbenzamide
PubChem CID17018002
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-benzyl-4-methoxy-3-methylbenzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2)cc1C
InChIInChI=1S/C16H17NO2/c1-12-10-14(8-9-15(12)19-2)16(18)17-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyPICVOYIOWNSGQI-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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Related Compounds

4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109046739
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
3-amino-N-benzyl-4-methylbenzamide
CID 12607982
N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-methylbenzamide
CID 25054568
4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 100500766
N-benzyl-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 9114511
2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
CID 110779766
3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
4-[[(3-chloro-4-methoxybenzoyl)amino]methyl]benzoic acid
CID 17171911

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methoxy-3-methylbenzamide?
The IUPAC name of N-benzyl-4-methoxy-3-methylbenzamide (CID 17018002) is N-benzyl-4-methoxy-3-methylbenzamide.
What is the SMILES notation for N-benzyl-4-methoxy-3-methylbenzamide?
The canonical SMILES for N-benzyl-4-methoxy-3-methylbenzamide is COc1ccc(C(=O)NCc2ccccc2)cc1C.
What is the InChIKey of N-benzyl-4-methoxy-3-methylbenzamide?
The InChIKey is PICVOYIOWNSGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-10-14(8-9-15(12)19-2)16(18)17-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-benzyl-4-methoxy-3-methylbenzamide?
N-benzyl-4-methoxy-3-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-benzyl-4-methoxy-3-methylbenzamide is sourced from PubChem (CID 17018002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).