N-(2-amino-1-naphthalen-2-ylethyl)-4-benzylmorpholine-2-carboxamide;dihydrochloride

C24H29Cl2N3O2 — CID 120567890

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-4-benzylmorpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)C1CN(Cc2ccccc2)CCO1)c1ccc2ccccc2c1
InChIInChI=1S/C24H27N3O2.2ClH/c25-15-22(21-11-10-19-8-4-5-9-20(19)14-21)26-24(28)23-17-27(12-13-29-23)16-18-6-2-1-3-7-18;;/h1-11,14,22-23H,12-13,15-17,25H2,(H,26,28);2*1H
InChIKeyZETCFTNUWSAIQZ-UHFFFAOYSA-N
MW462.42 g/mol
LogP3.70
Rot. Bonds6

About N-(2-amino-1-naphthalen-2-ylethyl)-4-benzylmorpholine-2-carboxamide;dihydrochloride

N-(2-amino-1-naphthalen-2-ylethyl)-4-benzylmorpholine-2-carboxamide;dihydrochloride (PubChem CID 120567890) has the molecular formula C24H29Cl2N3O2 and a molecular weight of 462.42 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-4-benzylmorpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-4-benzylmorpholine-2-carboxamide;dihydrochloride
PubChem CID120567890
Molecular FormulaC24H29Cl2N3O2
Molecular Weight462.42 g/mol
Exact Mass461.16
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-4-benzylmorpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)C1CN(Cc2ccccc2)CCO1)c1ccc2ccccc2c1
InChIInChI=1S/C24H27N3O2.2ClH/c25-15-22(21-11-10-19-8-4-5-9-20(19)14-21)26-24(28)23-17-27(12-13-29-23)16-18-6-2-1-3-7-18;;/h1-11,14,22-23H,12-13,15-17,25H2,(H,26,28);2*1H
InChIKeyZETCFTNUWSAIQZ-UHFFFAOYSA-N
XLogP3.70
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-benzylmorpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-4-benzylmorpholine-2-carboxamide;dihydrochloride (CID 120567890) is N-(2-amino-1-naphthalen-2-ylethyl)-4-benzylmorpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-4-benzylmorpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-4-benzylmorpholine-2-carboxamide;dihydrochloride is Cl.Cl.NCC(NC(=O)C1CN(Cc2ccccc2)CCO1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-4-benzylmorpholine-2-carboxamide;dihydrochloride?
The InChIKey is ZETCFTNUWSAIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2.2ClH/c25-15-22(21-11-10-19-8-4-5-9-20(19)14-21)26-24(28)23-17-27(12-13-29-23)16-18-6-2-1-3-7-18;;/h1-11,14,22-23H,12-13,15-17,25H2,(H,26,28);2*1H.
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-4-benzylmorpholine-2-carboxamide;dihydrochloride?
N-(2-amino-1-naphthalen-2-ylethyl)-4-benzylmorpholine-2-carboxamide;dihydrochloride has a molecular weight of 462.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-4-benzylmorpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120567890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).