3-(2-aminophenyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride

C17H27ClN2O2 — CID 120611838

IUPAC3-(2-aminophenyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride
SMILESCOCCC1(CNC(=O)CCc2ccccc2N)CCC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-21-12-11-17(9-4-10-17)13-19-16(20)8-7-14-5-2-3-6-15(14)18;/h2-3,5-6H,4,7-13,18H2,1H3,(H,19,20);1H
InChIKeyQFCINOUUAQJBBD-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.95
Rot. Bonds8

About 3-(2-aminophenyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride (PubChem CID 120611838) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride
PubChem CID120611838
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name3-(2-aminophenyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride
SMILESCOCCC1(CNC(=O)CCc2ccccc2N)CCC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-21-12-11-17(9-4-10-17)13-19-16(20)8-7-14-5-2-3-6-15(14)18;/h2-3,5-6H,4,7-13,18H2,1H3,(H,19,20);1H
InChIKeyQFCINOUUAQJBBD-UHFFFAOYSA-N
XLogP2.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]propanamide
CID 120611837
3-(2-aminophenyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]propanamide
CID 120610868
2-[1-[[3-(2-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 107273261
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]benzamide
CID 119945992
1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride
CID 120610787
4-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]butanamide;hydrochloride
CID 119339921
3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide
CID 120613142
3-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119820368
methyl 1-[3-(2-aminophenyl)propanoylamino]cycloheptane-1-carboxylate
CID 120608576
3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 107273259
3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
CID 120611896
3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 120611193

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride (CID 120611838) is 3-(2-aminophenyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride is COCCC1(CNC(=O)CCc2ccccc2N)CCC1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride?
The InChIKey is QFCINOUUAQJBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-21-12-11-17(9-4-10-17)13-19-16(20)8-7-14-5-2-3-6-15(14)18;/h2-3,5-6H,4,7-13,18H2,1H3,(H,19,20);1H.
What are the key properties of 3-(2-aminophenyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120611838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).