3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C20H28ClN3O — CID 119779424

IUPAC3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCc1cccc2c(CCNC(=O)C3C4CCC(C4)C3N)c[nH]c12.Cl
InChIInChI=1S/C20H27N3O.ClH/c1-2-12-4-3-5-16-15(11-23-19(12)16)8-9-22-20(24)17-13-6-7-14(10-13)18(17)21;/h3-5,11,13-14,17-18,23H,2,6-10,21H2,1H3,(H,22,24);1H
InChIKeyLPOWDXGJXRLILK-UHFFFAOYSA-N
MW361.92 g/mol
LogP3.18
Rot. Bonds5

About 3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119779424) has the molecular formula C20H28ClN3O and a molecular weight of 361.92 g/mol. Its IUPAC name is 3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119779424
Molecular FormulaC20H28ClN3O
Molecular Weight361.92 g/mol
Exact Mass361.19
IUPAC Name3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCc1cccc2c(CCNC(=O)C3C4CCC(C4)C3N)c[nH]c12.Cl
InChIInChI=1S/C20H27N3O.ClH/c1-2-12-4-3-5-16-15(11-23-19(12)16)8-9-22-20(24)17-13-6-7-14(10-13)18(17)21;/h3-5,11,13-14,17-18,23H,2,6-10,21H2,1H3,(H,22,24);1H
InChIKeyLPOWDXGJXRLILK-UHFFFAOYSA-N
XLogP3.18
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

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3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119779424) is 3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CCc1cccc2c(CCNC(=O)C3C4CCC(C4)C3N)c[nH]c12.Cl.
What is the InChIKey of 3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is LPOWDXGJXRLILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O.ClH/c1-2-12-4-3-5-16-15(11-23-19(12)16)8-9-22-20(24)17-13-6-7-14(10-13)18(17)21;/h3-5,11,13-14,17-18,23H,2,6-10,21H2,1H3,(H,22,24);1H.
What are the key properties of 3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 361.92 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119779424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).