3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide

C18H20N2O2 — CID 110793351

IUPAC3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H20N2O2/c1-12-7-8-15(9-13(12)2)11-19-18(22)16-5-4-6-17(10-16)20-14(3)21/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyDVQODWICXQPICY-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.19
Rot. Bonds4

About 3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide

3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide (PubChem CID 110793351) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide
PubChem CID110793351
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H20N2O2/c1-12-7-8-15(9-13(12)2)11-19-18(22)16-5-4-6-17(10-16)20-14(3)21/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyDVQODWICXQPICY-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055
3-acetamido-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 110793524
3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110794896
3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110794149
3-acetamido-N-ethylbenzamide
CID 17230670
N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide
CID 39575052
3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 17403034
3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110795014
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4-dimethylbenzamide
CID 108924079
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
N-[(4-acetamidophenyl)methyl]-3-iodobenzamide
CID 30380398

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide?
The IUPAC name of 3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide (CID 110793351) is 3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide?
The canonical SMILES for 3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide is CC(=O)Nc1cccc(C(=O)NCc2ccc(C)c(C)c2)c1.
What is the InChIKey of 3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide?
The InChIKey is DVQODWICXQPICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-7-8-15(9-13(12)2)11-19-18(22)16-5-4-6-17(10-16)20-14(3)21/h4-10H,11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide?
3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide is sourced from PubChem (CID 110793351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).