4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide

C18H22N2O3 — CID 119279771

IUPAC4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(OC)c(CCNC(=O)c2ccc(CN)cc2)c1
InChIInChI=1S/C18H22N2O3/c1-22-16-7-8-17(23-2)15(11-16)9-10-20-18(21)14-5-3-13(12-19)4-6-14/h3-8,11H,9-10,12,19H2,1-2H3,(H,20,21)
InChIKeyXVXSSOLISFIOAD-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.13
Rot. Bonds7

About 4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide

4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide (PubChem CID 119279771) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
PubChem CID119279771
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(OC)c(CCNC(=O)c2ccc(CN)cc2)c1
InChIInChI=1S/C18H22N2O3/c1-22-16-7-8-17(23-2)15(11-16)9-10-20-18(21)14-5-3-13(12-19)4-6-14/h3-8,11H,9-10,12,19H2,1-2H3,(H,20,21)
InChIKeyXVXSSOLISFIOAD-UHFFFAOYSA-N
XLogP2.13
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 110787720
4-tert-butyl-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 110601136
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119705593
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764
1-tert-butyl-N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrole-3-carboxamide
CID 110699024
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279781
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride
CID 119345843
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 110601493

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide (CID 119279771) is 4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide is COc1ccc(OC)c(CCNC(=O)c2ccc(CN)cc2)c1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is XVXSSOLISFIOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-22-16-7-8-17(23-2)15(11-16)9-10-20-18(21)14-5-3-13(12-19)4-6-14/h3-8,11H,9-10,12,19H2,1-2H3,(H,20,21).
What are the key properties of 4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide?
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 314.39 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 119279771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).