4-[2-(aminomethyl)phenyl]-N-(1-cyclopropyl-2-methoxyethyl)benzamide

C20H24N2O2 — CID 166270357

IUPAC4-[2-(aminomethyl)phenyl]-N-(1-cyclopropyl-2-methoxyethyl)benzamide
SMILESCOCC(NC(=O)c1ccc(-c2ccccc2CN)cc1)C1CC1
InChIInChI=1S/C20H24N2O2/c1-24-13-19(15-8-9-15)22-20(23)16-10-6-14(7-11-16)18-5-3-2-4-17(18)12-21/h2-7,10-11,15,19H,8-9,12-13,21H2,1H3,(H,22,23)
InChIKeyZPOUNRHQKPHCSV-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.97
Rot. Bonds7

About 4-[2-(aminomethyl)phenyl]-N-(1-cyclopropyl-2-methoxyethyl)benzamide

4-[2-(aminomethyl)phenyl]-N-(1-cyclopropyl-2-methoxyethyl)benzamide (PubChem CID 166270357) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-[2-(aminomethyl)phenyl]-N-(1-cyclopropyl-2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)phenyl]-N-(1-cyclopropyl-2-methoxyethyl)benzamide
PubChem CID166270357
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-[2-(aminomethyl)phenyl]-N-(1-cyclopropyl-2-methoxyethyl)benzamide
SMILESCOCC(NC(=O)c1ccc(-c2ccccc2CN)cc1)C1CC1
InChIInChI=1S/C20H24N2O2/c1-24-13-19(15-8-9-15)22-20(23)16-10-6-14(7-11-16)18-5-3-2-4-17(18)12-21/h2-7,10-11,15,19H,8-9,12-13,21H2,1H3,(H,22,23)
InChIKeyZPOUNRHQKPHCSV-UHFFFAOYSA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)phenyl]-N-(1-cyclopropyl-2-methoxyethyl)benzamide?
The IUPAC name of 4-[2-(aminomethyl)phenyl]-N-(1-cyclopropyl-2-methoxyethyl)benzamide (CID 166270357) is 4-[2-(aminomethyl)phenyl]-N-(1-cyclopropyl-2-methoxyethyl)benzamide.
What is the SMILES notation for 4-[2-(aminomethyl)phenyl]-N-(1-cyclopropyl-2-methoxyethyl)benzamide?
The canonical SMILES for 4-[2-(aminomethyl)phenyl]-N-(1-cyclopropyl-2-methoxyethyl)benzamide is COCC(NC(=O)c1ccc(-c2ccccc2CN)cc1)C1CC1.
What is the InChIKey of 4-[2-(aminomethyl)phenyl]-N-(1-cyclopropyl-2-methoxyethyl)benzamide?
The InChIKey is ZPOUNRHQKPHCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-13-19(15-8-9-15)22-20(23)16-10-6-14(7-11-16)18-5-3-2-4-17(18)12-21/h2-7,10-11,15,19H,8-9,12-13,21H2,1H3,(H,22,23).
What are the key properties of 4-[2-(aminomethyl)phenyl]-N-(1-cyclopropyl-2-methoxyethyl)benzamide?
4-[2-(aminomethyl)phenyl]-N-(1-cyclopropyl-2-methoxyethyl)benzamide has a molecular weight of 324.42 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)phenyl]-N-(1-cyclopropyl-2-methoxyethyl)benzamide is sourced from PubChem (CID 166270357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).