N-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride

C18H23ClN2O2 — CID 120567600

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride
SMILESCl.NCC(NC(=O)CC1CCCO1)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O2.ClH/c19-12-17(20-18(21)11-16-6-3-9-22-16)15-8-7-13-4-1-2-5-14(13)10-15;/h1-2,4-5,7-8,10,16-17H,3,6,9,11-12,19H2,(H,20,21);1H
InChIKeyUAKUOYAMCYPUQY-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.95
Rot. Bonds5

About N-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride

N-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride (PubChem CID 120567600) 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)-2-(oxolan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride
PubChem CID120567600
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride
SMILESCl.NCC(NC(=O)CC1CCCO1)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O2.ClH/c19-12-17(20-18(21)11-16-6-3-9-22-16)15-8-7-13-4-1-2-5-14(13)10-15;/h1-2,4-5,7-8,10,16-17H,3,6,9,11-12,19H2,(H,20,21);1H
InChIKeyUAKUOYAMCYPUQY-UHFFFAOYSA-N
XLogP2.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-naphthalen-2-ylethyl)-3-(oxan-2-yl)propanamide
CID 120567831
N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120567582
3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
N-(2-amino-1-naphthalen-2-ylethyl)oxolane-3-carboxamide
CID 120567741
1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide
CID 167749206
N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine
CID 55104166
2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid
CID 120543472
N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide
CID 120567667
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 103804697
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 65156988
(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid
CID 124559457
N-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride
CID 155970724

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride (CID 120567600) is N-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride is Cl.NCC(NC(=O)CC1CCCO1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride?
The InChIKey is UAKUOYAMCYPUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c19-12-17(20-18(21)11-16-6-3-9-22-16)15-8-7-13-4-1-2-5-14(13)10-15;/h1-2,4-5,7-8,10,16-17H,3,6,9,11-12,19H2,(H,20,21);1H.
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride?
N-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.95, 5 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)-2-(oxolan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 120567600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).