N-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride

C22H23ClN2O2 — CID 155970724

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1Cc2ccccc2CO1)c1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O2.ClH/c23-13-20(18-10-9-15-5-1-2-6-16(15)11-18)24-22(25)21-12-17-7-3-4-8-19(17)14-26-21;/h1-11,20-21H,12-14,23H2,(H,24,25);1H
InChIKeyMEZHITPXMBBZEI-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.52
Rot. Bonds4

About N-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride

N-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride (PubChem CID 155970724) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride
PubChem CID155970724
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1Cc2ccccc2CO1)c1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O2.ClH/c23-13-20(18-10-9-15-5-1-2-6-16(15)11-18)24-22(25)21-12-17-7-3-4-8-19(17)14-26-21;/h1-11,20-21H,12-14,23H2,(H,24,25);1H
InChIKeyMEZHITPXMBBZEI-UHFFFAOYSA-N
XLogP3.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride (CID 155970724) is N-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride is Cl.NCC(NC(=O)C1Cc2ccccc2CO1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride?
The InChIKey is MEZHITPXMBBZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2.ClH/c23-13-20(18-10-9-15-5-1-2-6-16(15)11-18)24-22(25)21-12-17-7-3-4-8-19(17)14-26-21;/h1-11,20-21H,12-14,23H2,(H,24,25);1H.
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride?
N-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride has a molecular weight of 382.89 g/mol, XLogP of 3.52, 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)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 155970724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).