9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C21H32ClN3O3 — CID 120983709

IUPAC9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C21H31N3O3.ClH/c1-3-24(13-19(25)23-17-9-4-5-10-18(17)27-2)21(26)16-11-14-7-6-8-15(12-16)20(14)22;/h4-5,9-10,14-16,20H,3,6-8,11-13,22H2,1-2H3,(H,23,25);1H
InChIKeyPAAUAEIUWCUEEM-UHFFFAOYSA-N
MW409.96 g/mol
LogP3.06
Rot. Bonds6

About 9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120983709) has the molecular formula C21H32ClN3O3 and a molecular weight of 409.96 g/mol. Its IUPAC name is 9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120983709
Molecular FormulaC21H32ClN3O3
Molecular Weight409.96 g/mol
Exact Mass409.21
IUPAC Name9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C21H31N3O3.ClH/c1-3-24(13-19(25)23-17-9-4-5-10-18(17)27-2)21(26)16-11-14-7-6-8-15(12-16)20(14)22;/h4-5,9-10,14-16,20H,3,6-8,11-13,22H2,1-2H3,(H,23,25);1H
InChIKeyPAAUAEIUWCUEEM-UHFFFAOYSA-N
XLogP3.06
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119291082
9-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984824
9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983152
(2R)-2-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119267268
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26355855
(3S)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 8850517
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide
CID 18557353
2-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787699
(3R)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 40974799
[2-(2-methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2364845
N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 11928144
1-N,1-N-diethyl-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139341

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120983709) is 9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CCN(CC(=O)Nc1ccccc1OC)C(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of 9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is PAAUAEIUWCUEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3.ClH/c1-3-24(13-19(25)23-17-9-4-5-10-18(17)27-2)21(26)16-11-14-7-6-8-15(12-16)20(14)22;/h4-5,9-10,14-16,20H,3,6-8,11-13,22H2,1-2H3,(H,23,25);1H.
What are the key properties of 9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120983709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).