4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide

C20H26N2O3 — CID 119265999

IUPAC4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(CN)cc2)cc1OCCC
InChIInChI=1S/C20H26N2O3/c1-3-11-24-18-10-9-17(13-19(18)25-12-4-2)22-20(23)16-7-5-15(14-21)6-8-16/h5-10,13H,3-4,11-12,14,21H2,1-2H3,(H,22,23)
InChIKeyXTRLJQCWSLIJIY-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.98
Rot. Bonds9

About 4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide

4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide (PubChem CID 119265999) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
PubChem CID119265999
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(CN)cc2)cc1OCCC
InChIInChI=1S/C20H26N2O3/c1-3-11-24-18-10-9-17(13-19(18)25-12-4-2)22-20(23)16-7-5-15(14-21)6-8-16/h5-10,13H,3-4,11-12,14,21H2,1-2H3,(H,22,23)
InChIKeyXTRLJQCWSLIJIY-UHFFFAOYSA-N
XLogP3.98
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(carbamoylamino)methyl]-N-(3,4-dipropoxyphenyl)benzamide
CID 29216719
3-amino-N-(3,4-dipropoxyphenyl)benzamide
CID 119679445
N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 141154638
N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
CID 7924147
4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
CID 115733832
N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide
CID 119420223
N-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 26878614
N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide
CID 16778324
N-(3-acetamidophenyl)-3-ethoxy-4-propoxybenzamide
CID 26103323
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide
CID 81424344
N-(3,4-dipropoxyphenyl)furan-2-carboxamide
CID 26212098

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide (CID 119265999) is 4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide is CCCOc1ccc(NC(=O)c2ccc(CN)cc2)cc1OCCC.
What is the InChIKey of 4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide?
The InChIKey is XTRLJQCWSLIJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-11-24-18-10-9-17(13-19(18)25-12-4-2)22-20(23)16-7-5-15(14-21)6-8-16/h5-10,13H,3-4,11-12,14,21H2,1-2H3,(H,22,23).
What are the key properties of 4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide?
4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide has a molecular weight of 342.44 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide is sourced from PubChem (CID 119265999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).