2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride

C18H23ClN2O2 — CID 120786171

IUPAC2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCc1cccc2ccccc12)C1CCOCC1
InChIInChI=1S/C18H22N2O2.ClH/c19-17(14-8-10-22-11-9-14)18(21)20-12-15-6-3-5-13-4-1-2-7-16(13)15;/h1-7,14,17H,8-12,19H2,(H,20,21);1H
InChIKeyRQPRKMHVQSERCT-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.63
Rot. Bonds4

About 2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120786171) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120786171
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCc1cccc2ccccc12)C1CCOCC1
InChIInChI=1S/C18H22N2O2.ClH/c19-17(14-8-10-22-11-9-14)18(21)20-12-15-6-3-5-13-4-1-2-7-16(13)15;/h1-7,14,17H,8-12,19H2,(H,20,21);1H
InChIKeyRQPRKMHVQSERCT-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791541
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 120790435
2-amino-N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785705
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 120790436
2-amino-N-(1-naphthalen-1-ylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784151
2-amino-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799386
2-amino-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801605
2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797734
2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783069
2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120785294
2-amino-2-(oxan-4-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 120788670

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride (CID 120786171) is 2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)NCc1cccc2ccccc12)C1CCOCC1.
What is the InChIKey of 2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is RQPRKMHVQSERCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c19-17(14-8-10-22-11-9-14)18(21)20-12-15-6-3-5-13-4-1-2-7-16(13)15;/h1-7,14,17H,8-12,19H2,(H,20,21);1H.
What are the key properties of 2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120786171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).