N-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride

C24H26ClN3O2 — CID 120568008

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H25N3O2.ClH/c25-15-22(21-12-11-18-4-1-2-5-20(18)14-21)26-24(29)19-9-7-17(8-10-19)16-27-13-3-6-23(27)28;/h1-2,4-5,7-12,14,22H,3,6,13,15-16,25H2,(H,26,29);1H
InChIKeyVQYAYFLDJFFJRW-UHFFFAOYSA-N
MW423.94 g/mol
LogP3.81
Rot. Bonds6

About N-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride

N-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride (PubChem CID 120568008) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
PubChem CID120568008
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H25N3O2.ClH/c25-15-22(21-12-11-18-4-1-2-5-20(18)14-21)26-24(29)19-9-7-17(8-10-19)16-27-13-3-6-23(27)28;/h1-2,4-5,7-12,14,22H,3,6,13,15-16,25H2,(H,26,29);1H
InChIKeyVQYAYFLDJFFJRW-UHFFFAOYSA-N
XLogP3.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride (CID 120568008) is N-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride is Cl.NCC(NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride?
The InChIKey is VQYAYFLDJFFJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2.ClH/c25-15-22(21-12-11-18-4-1-2-5-20(18)14-21)26-24(29)19-9-7-17(8-10-19)16-27-13-3-6-23(27)28;/h1-2,4-5,7-12,14,22H,3,6,13,15-16,25H2,(H,26,29);1H.
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride?
N-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride has a molecular weight of 423.94 g/mol, XLogP of 3.81, 6 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)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 120568008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).