3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C19H28ClN3O2 — CID 119683098

IUPAC3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)C1C2CCC(C2)C1N.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-11-5-4-6-12(2)18(11)21-15(23)10-22(3)19(24)16-13-7-8-14(9-13)17(16)20;/h4-6,13-14,16-17H,7-10,20H2,1-3H3,(H,21,23);1H
InChIKeyCZJVIRRCZUQCDJ-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.50
Rot. Bonds4

About 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119683098) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119683098
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)C1C2CCC(C2)C1N.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-11-5-4-6-12(2)18(11)21-15(23)10-22(3)19(24)16-13-7-8-14(9-13)17(16)20;/h4-6,13-14,16-17H,7-10,20H2,1-3H3,(H,21,23);1H
InChIKeyCZJVIRRCZUQCDJ-UHFFFAOYSA-N
XLogP2.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 2650123
4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672752
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119267842
(3S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8501078
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119683128
(1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 98205725
3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119752879
4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 119267877
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8500886
(2S)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride
CID 119683142
(2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 8557442
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9431366

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119683098) is 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1C2CCC(C2)C1N.Cl.
What is the InChIKey of 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is CZJVIRRCZUQCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c1-11-5-4-6-12(2)18(11)21-15(23)10-22(3)19(24)16-13-7-8-14(9-13)17(16)20;/h4-6,13-14,16-17H,7-10,20H2,1-3H3,(H,21,23);1H.
What are the key properties of 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119683098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).