N-anthracen-9-yl-2-[2-(dimethylamino)ethylamino]acetamide;hydrochloride

C20H24ClN3O — CID 90644026

IUPACN-anthracen-9-yl-2-[2-(dimethylamino)ethylamino]acetamide;hydrochloride
SMILESCN(C)CCNCC(=O)Nc1c2ccccc2cc2ccccc12.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-23(2)12-11-21-14-19(24)22-20-17-9-5-3-7-15(17)13-16-8-4-6-10-18(16)20;/h3-10,13,21H,11-12,14H2,1-2H3,(H,22,24);1H
InChIKeyJVXLBUMLCNFFBS-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.50
Rot. Bonds6

About N-anthracen-9-yl-2-[2-(dimethylamino)ethylamino]acetamide;hydrochloride

N-anthracen-9-yl-2-[2-(dimethylamino)ethylamino]acetamide;hydrochloride (PubChem CID 90644026) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N-anthracen-9-yl-2-[2-(dimethylamino)ethylamino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-anthracen-9-yl-2-[2-(dimethylamino)ethylamino]acetamide;hydrochloride
PubChem CID90644026
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN-anthracen-9-yl-2-[2-(dimethylamino)ethylamino]acetamide;hydrochloride
SMILESCN(C)CCNCC(=O)Nc1c2ccccc2cc2ccccc12.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-23(2)12-11-21-14-19(24)22-20-17-9-5-3-7-15(17)13-16-8-4-6-10-18(16)20;/h3-10,13,21H,11-12,14H2,1-2H3,(H,22,24);1H
InChIKeyJVXLBUMLCNFFBS-UHFFFAOYSA-N
XLogP3.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-anthracen-9-yl-2-[2-(dimethylamino)ethylamino]acetamide;hydrochloride?
The IUPAC name of N-anthracen-9-yl-2-[2-(dimethylamino)ethylamino]acetamide;hydrochloride (CID 90644026) is N-anthracen-9-yl-2-[2-(dimethylamino)ethylamino]acetamide;hydrochloride.
What is the SMILES notation for N-anthracen-9-yl-2-[2-(dimethylamino)ethylamino]acetamide;hydrochloride?
The canonical SMILES for N-anthracen-9-yl-2-[2-(dimethylamino)ethylamino]acetamide;hydrochloride is CN(C)CCNCC(=O)Nc1c2ccccc2cc2ccccc12.Cl.
What is the InChIKey of N-anthracen-9-yl-2-[2-(dimethylamino)ethylamino]acetamide;hydrochloride?
The InChIKey is JVXLBUMLCNFFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.ClH/c1-23(2)12-11-21-14-19(24)22-20-17-9-5-3-7-15(17)13-16-8-4-6-10-18(16)20;/h3-10,13,21H,11-12,14H2,1-2H3,(H,22,24);1H.
What are the key properties of N-anthracen-9-yl-2-[2-(dimethylamino)ethylamino]acetamide;hydrochloride?
N-anthracen-9-yl-2-[2-(dimethylamino)ethylamino]acetamide;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-anthracen-9-yl-2-[2-(dimethylamino)ethylamino]acetamide;hydrochloride is sourced from PubChem (CID 90644026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).