4-(aminomethyl)-N-[2-(furan-2-yl)phenyl]-N,3-dimethylbenzamide

C20H20N2O2 — CID 57470787

IUPAC4-(aminomethyl)-N-[2-(furan-2-yl)phenyl]-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)c2ccccc2-c2ccco2)ccc1CN
InChIInChI=1S/C20H20N2O2/c1-14-12-15(9-10-16(14)13-21)20(23)22(2)18-7-4-3-6-17(18)19-8-5-11-24-19/h3-12H,13,21H2,1-2H3
InChIKeyUUJJXVBUFOQQHC-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.99
Rot. Bonds4

About 4-(aminomethyl)-N-[2-(furan-2-yl)phenyl]-N,3-dimethylbenzamide

4-(aminomethyl)-N-[2-(furan-2-yl)phenyl]-N,3-dimethylbenzamide (PubChem CID 57470787) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(furan-2-yl)phenyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(furan-2-yl)phenyl]-N,3-dimethylbenzamide
PubChem CID57470787
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-(aminomethyl)-N-[2-(furan-2-yl)phenyl]-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)c2ccccc2-c2ccco2)ccc1CN
InChIInChI=1S/C20H20N2O2/c1-14-12-15(9-10-16(14)13-21)20(23)22(2)18-7-4-3-6-17(18)19-8-5-11-24-19/h3-12H,13,21H2,1-2H3
InChIKeyUUJJXVBUFOQQHC-UHFFFAOYSA-N
XLogP3.99
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-[2-(furan-2-yl)phenyl]-N,3-dimethylbenzamide 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

4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane
CID 143188892
4-(aminomethyl)-N,3-dimethyl-N-(2-thiophen-2-ylphenyl)benzamide;8-fluoro-4-(2-hydroxyethyl)-3-oxo-2H-quinoxaline-1-carboxylic acid
CID 172806869
4-(aminomethyl)-3-methylbenzenecarbothioic S-acid
CID 86120891
3-(furan-2-yl)-N-methyl-N-phenylbenzamide
CID 168526169
3,4-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide
CID 107728489
4-(carboxymethyl)-3-(furan-2-yl)benzoic acid
CID 67569971
4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide
CID 115161228
3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide
CID 62002753
4-ethyl-N,N,3-trimethylbenzamide
CID 150723672
4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 121269426
ethane;2-(2-methylphenyl)furan
CID 142082580
3-(furan-2-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 168525107

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(furan-2-yl)phenyl]-N,3-dimethylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(furan-2-yl)phenyl]-N,3-dimethylbenzamide (CID 57470787) is 4-(aminomethyl)-N-[2-(furan-2-yl)phenyl]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(furan-2-yl)phenyl]-N,3-dimethylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(furan-2-yl)phenyl]-N,3-dimethylbenzamide is Cc1cc(C(=O)N(C)c2ccccc2-c2ccco2)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-[2-(furan-2-yl)phenyl]-N,3-dimethylbenzamide?
The InChIKey is UUJJXVBUFOQQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-12-15(9-10-16(14)13-21)20(23)22(2)18-7-4-3-6-17(18)19-8-5-11-24-19/h3-12H,13,21H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-[2-(furan-2-yl)phenyl]-N,3-dimethylbenzamide?
4-(aminomethyl)-N-[2-(furan-2-yl)phenyl]-N,3-dimethylbenzamide has a molecular weight of 320.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(furan-2-yl)phenyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 57470787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).