N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide

C22H21NO2 — CID 50875108

IUPACN-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
SMILESCc1cccc(CNC(=O)c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C22H21NO2/c1-17-7-5-10-19(13-17)15-23-22(24)20-11-6-12-21(14-20)25-16-18-8-3-2-4-9-18/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeySTFHDTQGXGZNDU-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.50
Rot. Bonds6

About N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide

N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide (PubChem CID 50875108) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
PubChem CID50875108
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
SMILESCc1cccc(CNC(=O)c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C22H21NO2/c1-17-7-5-10-19(13-17)15-23-22(24)20-11-6-12-21(14-20)25-16-18-8-3-2-4-9-18/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeySTFHDTQGXGZNDU-UHFFFAOYSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]benzamide
CID 33097042
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 55846787
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
CID 28572765
3-(dimethylamino)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 52685710
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 32619190
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide
CID 55637639
N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266
N-[(3-phenylmethoxyphenyl)methyl]-2H-benzotriazole-5-carboxamide
CID 60515368
N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119508535
methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate
CID 55612622
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
3,5-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 167782072

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide (CID 50875108) is N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide is Cc1cccc(CNC(=O)c2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide?
The InChIKey is STFHDTQGXGZNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-17-7-5-10-19(13-17)15-23-22(24)20-11-6-12-21(14-20)25-16-18-8-3-2-4-9-18/h2-14H,15-16H2,1H3,(H,23,24).
What are the key properties of N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide?
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide has a molecular weight of 331.42 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 50875108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).