3-(2-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide;hydrochloride

C14H21ClN2O2 — CID 120613594

IUPAC3-(2-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide;hydrochloride
SMILESCC1(NC(=O)CCc2ccccc2N)CCOC1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-14(8-9-18-10-14)16-13(17)7-6-11-4-2-3-5-12(11)15;/h2-5H,6-10,15H2,1H3,(H,16,17);1H
InChIKeyGAQPSOQVYZPMEB-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.92
Rot. Bonds4

About 3-(2-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide;hydrochloride

3-(2-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide;hydrochloride (PubChem CID 120613594) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide;hydrochloride
PubChem CID120613594
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-(2-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide;hydrochloride
SMILESCC1(NC(=O)CCc2ccccc2N)CCOC1.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-14(8-9-18-10-14)16-13(17)7-6-11-4-2-3-5-12(11)15;/h2-5H,6-10,15H2,1H3,(H,16,17);1H
InChIKeyGAQPSOQVYZPMEB-UHFFFAOYSA-N
XLogP1.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.92
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-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101366
3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 107273259
3-(2-aminophenyl)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride
CID 120612959
3-(2-aminophenyl)-N-[1-(4-chlorophenyl)cyclopentyl]propanamide;hydrochloride
CID 120610238
methyl 1-[3-(2-aminophenyl)propanoylamino]cycloheptane-1-carboxylate
CID 120608576
3-(2-aminophenyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)propanamide;hydrochloride
CID 120611037
3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide
CID 79872318
3-(2-aminophenyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide;hydrochloride
CID 120607988
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
3-(2-aminophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 120608564
3-(2,5-dioxopyrrolidin-1-yl)-N-[(3R)-3-methyloxolan-3-yl]propanamide
CID 97244449
4-[3-(2-methylphenyl)propanoylamino]oxane-4-carboxylic acid
CID 115291472

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide;hydrochloride (CID 120613594) is 3-(2-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide;hydrochloride is CC1(NC(=O)CCc2ccccc2N)CCOC1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide;hydrochloride?
The InChIKey is GAQPSOQVYZPMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-14(8-9-18-10-14)16-13(17)7-6-11-4-2-3-5-12(11)15;/h2-5H,6-10,15H2,1H3,(H,16,17);1H.
What are the key properties of 3-(2-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 120613594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).