3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide

C17H20N2O3 — CID 82545918

IUPAC3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(CN)c2)cc1OC
InChIInChI=1S/C17H20N2O3/c1-21-15-7-6-13(9-16(15)22-2)11-19-17(20)14-5-3-4-12(8-14)10-18/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyNWQTULHLBCRIJI-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.09
Rot. Bonds6

About 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide

3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide (PubChem CID 82545918) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
PubChem CID82545918
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(CN)c2)cc1OC
InChIInChI=1S/C17H20N2O3/c1-21-15-7-6-13(9-16(15)22-2)11-19-17(20)14-5-3-4-12(8-14)10-18/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyNWQTULHLBCRIJI-UHFFFAOYSA-N
XLogP2.09
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
CID 43397926
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
1-N-butyl-3-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051107
3-[[[amino-[(3,4-dimethoxyphenyl)methylamino]methylidene]amino]methyl]-N-ethylbenzamide
CID 111071172
3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109050721
N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 38001059
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214
3-[[[[(3,4-dimethoxyphenyl)methylamino]-(ethylamino)methylidene]amino]methyl]-N-ethylbenzamide
CID 111201650
3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 9470765
3-[[[amino-[(3,4-dimethoxyphenyl)methylamino]methylidene]amino]methyl]-N-propylbenzamide;hydroiodide
CID 111058671

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The IUPAC name of 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide (CID 82545918) is 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2cccc(CN)c2)cc1OC.
What is the InChIKey of 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The InChIKey is NWQTULHLBCRIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-15-7-6-13(9-16(15)22-2)11-19-17(20)14-5-3-4-12(8-14)10-18/h3-9H,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide has a molecular weight of 300.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 82545918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).