4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide

C19H22N2O2 — CID 119272533

IUPAC4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2ccc(CN)cc2)C2CC2)cc1
InChIInChI=1S/C19H22N2O2/c1-23-18-10-4-15(5-11-18)13-21(17-8-9-17)19(22)16-6-2-14(12-20)3-7-16/h2-7,10-11,17H,8-9,12-13,20H2,1H3
InChIKeyKEBGLQXVWONERA-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.96
Rot. Bonds6

About 4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide

4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 119272533) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID119272533
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2ccc(CN)cc2)C2CC2)cc1
InChIInChI=1S/C19H22N2O2/c1-23-18-10-4-15(5-11-18)13-21(17-8-9-17)19(22)16-6-2-14(12-20)3-7-16/h2-7,10-11,17H,8-9,12-13,20H2,1H3
InChIKeyKEBGLQXVWONERA-UHFFFAOYSA-N
XLogP2.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide
CID 9298236
[4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]phenyl] ethanesulfonate
CID 46110939
N-cyclopropyl-4-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 9298439
4-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]benzamide;hydrochloride
CID 119284935
N-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide
CID 43136784
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 39966520
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 115426364
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 7123320

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide (CID 119272533) is 4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CN(C(=O)c2ccc(CN)cc2)C2CC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is KEBGLQXVWONERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-18-10-4-15(5-11-18)13-21(17-8-9-17)19(22)16-6-2-14(12-20)3-7-16/h2-7,10-11,17H,8-9,12-13,20H2,1H3.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide?
4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 119272533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).