4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide

C17H20N2O — CID 43601942

IUPAC4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2cccc(CNC)c2)cc1
InChIInChI=1S/C17H20N2O/c1-3-13-7-9-15(10-8-13)17(20)19-16-6-4-5-14(11-16)12-18-2/h4-11,18H,3,12H2,1-2H3,(H,19,20)
InChIKeyWHIGFKRDGRSORF-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.22
Rot. Bonds5

About 4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide

4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide (PubChem CID 43601942) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
PubChem CID43601942
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2cccc(CNC)c2)cc1
InChIInChI=1S/C17H20N2O/c1-3-13-7-9-15(10-8-13)17(20)19-16-6-4-5-14(11-16)12-18-2/h4-11,18H,3,12H2,1-2H3,(H,19,20)
InChIKeyWHIGFKRDGRSORF-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601985
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 63186754
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
CID 29352763
3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601854
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
N-(3-ethylphenyl)-4-methylsulfonylbenzamide
CID 26880057
4-ethyl-N-(3-ethynylphenyl)benzamide
CID 18168132
4-[(diaminomethylideneamino)methyl]-N-(3-ethylphenyl)benzamide
CID 70420716

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide?
The IUPAC name of 4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide (CID 43601942) is 4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide?
The canonical SMILES for 4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide is CCc1ccc(C(=O)Nc2cccc(CNC)c2)cc1.
What is the InChIKey of 4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide?
The InChIKey is WHIGFKRDGRSORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-13-7-9-15(10-8-13)17(20)19-16-6-4-5-14(11-16)12-18-2/h4-11,18H,3,12H2,1-2H3,(H,19,20).
What are the key properties of 4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide?
4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide has a molecular weight of 268.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 43601942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).