3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C14H26ClN3O2 — CID 119726667

IUPAC3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCNC(=O)CN(CC)C(=O)C1C2CCC(C2)C1N.Cl
InChIInChI=1S/C14H25N3O2.ClH/c1-3-16-11(18)8-17(4-2)14(19)12-9-5-6-10(7-9)13(12)15;/h9-10,12-13H,3-8,15H2,1-2H3,(H,16,18);1H
InChIKeyZURGJCPESIPOJN-UHFFFAOYSA-N
MW303.83 g/mol
LogP0.77
Rot. Bonds5

About 3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119726667) has the molecular formula C14H26ClN3O2 and a molecular weight of 303.83 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119726667
Molecular FormulaC14H26ClN3O2
Molecular Weight303.83 g/mol
Exact Mass303.17
IUPAC Name3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCNC(=O)CN(CC)C(=O)C1C2CCC(C2)C1N.Cl
InChIInChI=1S/C14H25N3O2.ClH/c1-3-16-11(18)8-17(4-2)14(19)12-9-5-6-10(7-9)13(12)15;/h9-10,12-13H,3-8,15H2,1-2H3,(H,16,18);1H
InChIKeyZURGJCPESIPOJN-UHFFFAOYSA-N
XLogP0.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119726667) is 3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CCNC(=O)CN(CC)C(=O)C1C2CCC(C2)C1N.Cl.
What is the InChIKey of 3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is ZURGJCPESIPOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2.ClH/c1-3-16-11(18)8-17(4-2)14(19)12-9-5-6-10(7-9)13(12)15;/h9-10,12-13H,3-8,15H2,1-2H3,(H,16,18);1H.
What are the key properties of 3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119726667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).