N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride

C21H26ClN3O2 — CID 119457551

IUPACN-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
SMILESCl.O=C(Cc1cccc2ccccc12)NCC(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C21H25N3O2.ClH/c25-20(10-15-6-3-5-14-4-1-2-7-19(14)15)22-13-21(26)24-18-11-16-8-9-17(12-18)23-16;/h1-7,16-18,23H,8-13H2,(H,22,25)(H,24,26);1H
InChIKeyQJQXJVHKONRKPE-UHFFFAOYSA-N
MW387.91 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride

N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride (PubChem CID 119457551) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
PubChem CID119457551
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
SMILESCl.O=C(Cc1cccc2ccccc12)NCC(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C21H25N3O2.ClH/c25-20(10-15-6-3-5-14-4-1-2-7-19(14)15)22-13-21(26)24-18-11-16-8-9-17(12-18)23-16;/h1-7,16-18,23H,8-13H2,(H,22,25)(H,24,26);1H
InChIKeyQJQXJVHKONRKPE-UHFFFAOYSA-N
XLogP2.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride with MolForge

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Related Compounds

N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 119456983
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574122
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-naphthalen-2-ylacetamide
CID 119455156
4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 55502373
2-naphthalen-1-yl-N-piperidin-3-ylacetamide;hydrochloride
CID 119427587
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide;hydrochloride
CID 119767800
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
N-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 47941634
N-(3-methylcyclopentyl)-2-naphthalen-1-ylacetamide
CID 114549688
N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119620405
N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
CID 27710322

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride (CID 119457551) is N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride is Cl.O=C(Cc1cccc2ccccc12)NCC(=O)NC1CC2CCC(C1)N2.
What is the InChIKey of N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The InChIKey is QJQXJVHKONRKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c25-20(10-15-6-3-5-14-4-1-2-7-19(14)15)22-13-21(26)24-18-11-16-8-9-17(12-18)23-16;/h1-7,16-18,23H,8-13H2,(H,22,25)(H,24,26);1H.
What are the key properties of N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride?
N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride is sourced from PubChem (CID 119457551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).