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

C17H32N2O2 — CID 649359

IUPAC2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCCOCCCNCC(=O)NC1(C)C2CCC(C2)C1(C)C
InChIInChI=1S/C17H32N2O2/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)
InChIKeyADQOVMUDQNVVLB-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.33
Rot. Bonds8

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

2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 649359) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound Name2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID649359
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCCOCCCNCC(=O)NC1(C)C2CCC(C2)C1(C)C
InChIInChI=1S/C17H32N2O2/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)
InChIKeyADQOVMUDQNVVLB-UHFFFAOYSA-N
XLogP2.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.33
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?
The IUPAC name of 2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 649359) is 2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for 2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for 2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is CCOCCCNCC(=O)NC1(C)C2CCC(C2)C1(C)C.
What is the InChIKey of 2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is ADQOVMUDQNVVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/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).
What are the key properties of 2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 296.45 g/mol, XLogP of 2.33, 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 is sourced from PubChem (CID 649359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).