3-(2-aminophenyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]propanamide

C18H28N2O2 — CID 120611837

IUPAC3-(2-aminophenyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]propanamide
SMILESCCOCCC1(CNC(=O)CCc2ccccc2N)CCC1
InChIInChI=1S/C18H28N2O2/c1-2-22-13-12-18(10-5-11-18)14-20-17(21)9-8-15-6-3-4-7-16(15)19/h3-4,6-7H,2,5,8-14,19H2,1H3,(H,20,21)
InChIKeyFIWULDWMKCWLSI-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.91
Rot. Bonds9

About 3-(2-aminophenyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]propanamide

3-(2-aminophenyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]propanamide (PubChem CID 120611837) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]propanamide
PubChem CID120611837
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-(2-aminophenyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]propanamide
SMILESCCOCCC1(CNC(=O)CCc2ccccc2N)CCC1
InChIInChI=1S/C18H28N2O2/c1-2-22-13-12-18(10-5-11-18)14-20-17(21)9-8-15-6-3-4-7-16(15)19/h3-4,6-7H,2,5,8-14,19H2,1H3,(H,20,21)
InChIKeyFIWULDWMKCWLSI-UHFFFAOYSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 120611838
3-(2-aminophenyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]propanamide
CID 120610868
2-[1-[[3-(2-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 107273261
3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride
CID 120609020
1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride
CID 120610787
3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide
CID 120613142
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]benzamide
CID 119945992
3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 107273259
3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119820336
1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclopropane-1-carboxamide
CID 119820293
3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide
CID 120609341
methyl 1-[3-(2-aminophenyl)propanoylamino]cycloheptane-1-carboxylate
CID 120608576

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]propanamide (CID 120611837) is 3-(2-aminophenyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]propanamide is CCOCCC1(CNC(=O)CCc2ccccc2N)CCC1.
What is the InChIKey of 3-(2-aminophenyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]propanamide?
The InChIKey is FIWULDWMKCWLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-22-13-12-18(10-5-11-18)14-20-17(21)9-8-15-6-3-4-7-16(15)19/h3-4,6-7H,2,5,8-14,19H2,1H3,(H,20,21).
What are the key properties of 3-(2-aminophenyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]propanamide?
3-(2-aminophenyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.91, 9 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-ethoxyethyl)cyclobutyl]methyl]propanamide is sourced from PubChem (CID 120611837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).