N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride

C18H23ClN2O2 — CID 120567582

IUPACN-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O2.ClH/c19-12-17(20-18(21)14-7-9-22-10-8-14)16-6-5-13-3-1-2-4-15(13)11-16;/h1-6,11,14,17H,7-10,12,19H2,(H,20,21);1H
InChIKeyWTRJAJOSLJSMIO-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.80
Rot. Bonds4

About N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride

N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride (PubChem CID 120567582) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
PubChem CID120567582
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O2.ClH/c19-12-17(20-18(21)14-7-9-22-10-8-14)16-6-5-13-3-1-2-4-15(13)11-16;/h1-6,11,14,17H,7-10,12,19H2,(H,20,21);1H
InChIKeyWTRJAJOSLJSMIO-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
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3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride
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N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide
CID 111112227
N-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride
CID 155970724
N-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride
CID 120567600
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N-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 167942312
3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
N-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120597776
N-(2-amino-1-naphthalen-2-ylethyl)-4-benzylmorpholine-2-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride (CID 120567582) is N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride is Cl.NCC(NC(=O)C1CCOCC1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride?
The InChIKey is WTRJAJOSLJSMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c19-12-17(20-18(21)14-7-9-22-10-8-14)16-6-5-13-3-1-2-4-15(13)11-16;/h1-6,11,14,17H,7-10,12,19H2,(H,20,21);1H.
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride?
N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120567582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).