N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide

C17H19NO2 — CID 28572765

IUPACN-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
SMILESCCOc1cccc(CNC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C17H19NO2/c1-3-20-16-9-5-7-14(11-16)12-18-17(19)15-8-4-6-13(2)10-15/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyCJZUEKBQLAVHKF-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.32
Rot. Bonds5

About N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide

N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide (PubChem CID 28572765) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
PubChem CID28572765
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
SMILESCCOc1cccc(CNC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C17H19NO2/c1-3-20-16-9-5-7-14(11-16)12-18-17(19)15-8-4-6-13(2)10-15/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyCJZUEKBQLAVHKF-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 92683249
2-benzoyl-N-[(3-ethoxyphenyl)methyl]benzamide
CID 55843893
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78900659
3-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]benzamide
CID 33097042
N-[3-[(3-ethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55844290
N-[(3-ethoxyphenyl)methyl]-4-nitrobenzamide
CID 71820489
2-(2,5-dimethylphenyl)-N-[(3-ethoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 55784326
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide
CID 78984271
N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide
CID 87025092

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide (CID 28572765) is N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide is CCOc1cccc(CNC(=O)c2cccc(C)c2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide?
The InChIKey is CJZUEKBQLAVHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-20-16-9-5-7-14(11-16)12-18-17(19)15-8-4-6-13(2)10-15/h4-11H,3,12H2,1-2H3,(H,18,19).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide?
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide has a molecular weight of 269.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide is sourced from PubChem (CID 28572765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).