N-(4-butoxynaphthalen-1-yl)-2-(diethylamino)acetamide;hydrochloride

C20H29ClN2O2 — CID 3026019

IUPACN-(4-butoxynaphthalen-1-yl)-2-(diethylamino)acetamide;hydrochloride
SMILESCCCCOc1ccc(NC(=O)CN(CC)CC)c2ccccc12.Cl
InChIInChI=1S/C20H28N2O2.ClH/c1-4-7-14-24-19-13-12-18(16-10-8-9-11-17(16)19)21-20(23)15-22(5-2)6-3;/h8-13H,4-7,14-15H2,1-3H3,(H,21,23);1H
InChIKeyRIQFJQBYVKKXRH-UHFFFAOYSA-N
MW364.92 g/mol
LogP4.72
Rot. Bonds9

About N-(4-butoxynaphthalen-1-yl)-2-(diethylamino)acetamide;hydrochloride

N-(4-butoxynaphthalen-1-yl)-2-(diethylamino)acetamide;hydrochloride (PubChem CID 3026019) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is N-(4-butoxynaphthalen-1-yl)-2-(diethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-butoxynaphthalen-1-yl)-2-(diethylamino)acetamide;hydrochloride
PubChem CID3026019
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC NameN-(4-butoxynaphthalen-1-yl)-2-(diethylamino)acetamide;hydrochloride
SMILESCCCCOc1ccc(NC(=O)CN(CC)CC)c2ccccc12.Cl
InChIInChI=1S/C20H28N2O2.ClH/c1-4-7-14-24-19-13-12-18(16-10-8-9-11-17(16)19)21-20(23)15-22(5-2)6-3;/h8-13H,4-7,14-15H2,1-3H3,(H,21,23);1H
InChIKeyRIQFJQBYVKKXRH-UHFFFAOYSA-N
XLogP4.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-butoxynaphthalen-1-yl)-2-(diethylamino)acetamide;hydrochloride?
The IUPAC name of N-(4-butoxynaphthalen-1-yl)-2-(diethylamino)acetamide;hydrochloride (CID 3026019) is N-(4-butoxynaphthalen-1-yl)-2-(diethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(4-butoxynaphthalen-1-yl)-2-(diethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(4-butoxynaphthalen-1-yl)-2-(diethylamino)acetamide;hydrochloride is CCCCOc1ccc(NC(=O)CN(CC)CC)c2ccccc12.Cl.
What is the InChIKey of N-(4-butoxynaphthalen-1-yl)-2-(diethylamino)acetamide;hydrochloride?
The InChIKey is RIQFJQBYVKKXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2.ClH/c1-4-7-14-24-19-13-12-18(16-10-8-9-11-17(16)19)21-20(23)15-22(5-2)6-3;/h8-13H,4-7,14-15H2,1-3H3,(H,21,23);1H.
What are the key properties of N-(4-butoxynaphthalen-1-yl)-2-(diethylamino)acetamide;hydrochloride?
N-(4-butoxynaphthalen-1-yl)-2-(diethylamino)acetamide;hydrochloride has a molecular weight of 364.92 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxynaphthalen-1-yl)-2-(diethylamino)acetamide;hydrochloride is sourced from PubChem (CID 3026019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).