2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride

C17H33ClN2O2 — CID 6603398

IUPAC2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride
SMILESCCOCCCNCC(=O)NC1(C)C2CCC(C2)C1(C)C.Cl
InChIInChI=1S/C17H32N2O2.ClH/c1-5-21-10-6-9-18-12-15(20)19-17(4)14-8-7-13(11-14)16(17,2)3;/h13-14,18H,5-12H2,1-4H3,(H,19,20);1H
InChIKeyRRKSZTWIIGBERJ-UHFFFAOYSA-N
MW332.92 g/mol
LogP2.76
Rot. Bonds8

About 2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride

2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride (PubChem CID 6603398) has the molecular formula C17H33ClN2O2 and a molecular weight of 332.92 g/mol. Its IUPAC name is 2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride
PubChem CID6603398
Molecular FormulaC17H33ClN2O2
Molecular Weight332.92 g/mol
Exact Mass332.22
IUPAC Name2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride
SMILESCCOCCCNCC(=O)NC1(C)C2CCC(C2)C1(C)C.Cl
InChIInChI=1S/C17H32N2O2.ClH/c1-5-21-10-6-9-18-12-15(20)19-17(4)14-8-7-13(11-14)16(17,2)3;/h13-14,18H,5-12H2,1-4H3,(H,19,20);1H
InChIKeyRRKSZTWIIGBERJ-UHFFFAOYSA-N
XLogP2.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.92
LogP ≤ 52.76
H-Bond Donors ≤ 52
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 2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride?
The IUPAC name of 2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride (CID 6603398) is 2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride is CCOCCCNCC(=O)NC1(C)C2CCC(C2)C1(C)C.Cl.
What is the InChIKey of 2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride?
The InChIKey is RRKSZTWIIGBERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2.ClH/c1-5-21-10-6-9-18-12-15(20)19-17(4)14-8-7-13(11-14)16(17,2)3;/h13-14,18H,5-12H2,1-4H3,(H,19,20);1H.
What are the key properties of 2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride?
2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride has a molecular weight of 332.92 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride is sourced from PubChem (CID 6603398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).