3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide

C19H22N2O2 — CID 91172760

IUPAC3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide
SMILESCCc1cccc(CNC(=O)c2cc(C)cc(C(=O)NC)c2)c1
InChIInChI=1S/C19H22N2O2/c1-4-14-6-5-7-15(10-14)12-21-19(23)17-9-13(2)8-16(11-17)18(22)20-3/h5-11H,4,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyDSTBDCXPFSAPEC-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.85
Rot. Bonds5

About 3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide

3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide (PubChem CID 91172760) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide
PubChem CID91172760
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide
SMILESCCc1cccc(CNC(=O)c2cc(C)cc(C(=O)NC)c2)c1
InChIInChI=1S/C19H22N2O2/c1-4-14-6-5-7-15(10-14)12-21-19(23)17-9-13(2)8-16(11-17)18(22)20-3/h5-11H,4,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyDSTBDCXPFSAPEC-UHFFFAOYSA-N
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide
CID 143752516
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide
CID 115663338
3-ethyl-N-methylbenzamide
CID 59115297
N-[[3-(bromomethyl)phenyl]methyl]-3-chloro-5-methylbenzamide
CID 114313048
3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide
CID 106899931
(3-ethylphenyl)methylurea
CID 70298508
3-bromo-N-[(3-cyanophenyl)methyl]-5-methylbenzamide
CID 104851511
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
CID 33203040
3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide
CID 159329944
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
CID 28572765

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide (CID 91172760) is 3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide is CCc1cccc(CNC(=O)c2cc(C)cc(C(=O)NC)c2)c1.
What is the InChIKey of 3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide?
The InChIKey is DSTBDCXPFSAPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-14-6-5-7-15(10-14)12-21-19(23)17-9-13(2)8-16(11-17)18(22)20-3/h5-11H,4,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide?
3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 91172760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).