3-amino-N-methyl-N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C18H27ClN2O — CID 119807722

IUPAC3-amino-N-methyl-N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCC(C)c1ccc(N(C)C(=O)C2C3CCC(C3)C2N)cc1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-11(2)12-6-8-15(9-7-12)20(3)18(21)16-13-4-5-14(10-13)17(16)19;/h6-9,11,13-14,16-17H,4-5,10,19H2,1-3H3;1H
InChIKeyWTJDBUZEFFATPT-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.57
Rot. Bonds3

About 3-amino-N-methyl-N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-methyl-N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119807722) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119807722
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name3-amino-N-methyl-N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCC(C)c1ccc(N(C)C(=O)C2C3CCC(C3)C2N)cc1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-11(2)12-6-8-15(9-7-12)20(3)18(21)16-13-4-5-14(10-13)17(16)19;/h6-9,11,13-14,16-17H,4-5,10,19H2,1-3H3;1H
InChIKeyWTJDBUZEFFATPT-UHFFFAOYSA-N
XLogP3.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-methyl-N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

2-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977341
3-amino-N-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119716369
N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119337319
3-amino-N-methyl-N-(2-methylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119708504
3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550889
3-amino-N-cyclopropyl-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119722177
(2S,4S)-N,2-dimethyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120636707
N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride
CID 115194451
3-amino-N-[1-(4-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119705788
3-amino-N-(2,2-difluoroethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119752879
3-amino-N-methyl-N-(2-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 84584219
3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119669695

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119807722) is 3-amino-N-methyl-N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CC(C)c1ccc(N(C)C(=O)C2C3CCC(C3)C2N)cc1.Cl.
What is the InChIKey of 3-amino-N-methyl-N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is WTJDBUZEFFATPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c1-11(2)12-6-8-15(9-7-12)20(3)18(21)16-13-4-5-14(10-13)17(16)19;/h6-9,11,13-14,16-17H,4-5,10,19H2,1-3H3;1H.
What are the key properties of 3-amino-N-methyl-N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-methyl-N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119807722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).