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

C15H22N2O2 — CID 104694588

IUPAC4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
SMILESCOCCC1(CNC(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-19-9-8-15(6-7-15)11-17-14(18)13-4-2-12(10-16)3-5-13/h2-5H,6-11,16H2,1H3,(H,17,18)
InChIKeyJLSAFNIJIHHEPU-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.69
Rot. Bonds7

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

4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide (PubChem CID 104694588) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
PubChem CID104694588
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
SMILESCOCCC1(CNC(=O)c2ccc(CN)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-19-9-8-15(6-7-15)11-17-14(18)13-4-2-12(10-16)3-5-13/h2-5H,6-11,16H2,1H3,(H,17,18)
InChIKeyJLSAFNIJIHHEPU-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 114112849
4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride
CID 119345529
4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride
CID 119339941
3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide
CID 103957600
6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 103804726
3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 103800054
1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433634
4-amino-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103813045
5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide
CID 103800048
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103800042
3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide
CID 103801674
2-(3-hydroxyphenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]acetamide
CID 103801681

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide (CID 104694588) is 4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide is COCCC1(CNC(=O)c2ccc(CN)cc2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide?
The InChIKey is JLSAFNIJIHHEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-9-8-15(6-7-15)11-17-14(18)13-4-2-12(10-16)3-5-13/h2-5H,6-11,16H2,1H3,(H,17,18).
What are the key properties of 4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide?
4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide has a molecular weight of 262.35 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 104694588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).