3-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C18H27ClN2O — CID 119800089

IUPAC3-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCc1cc(C)cc(CCNC(=O)C2C3CCC(C3)C2N)c1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-11-7-12(2)9-13(8-11)5-6-20-18(21)16-14-3-4-15(10-14)17(16)19;/h7-9,14-17H,3-6,10,19H2,1-2H3,(H,20,21);1H
InChIKeyHWLCWYOTEMURTH-UHFFFAOYSA-N
MW322.88 g/mol
LogP2.76
Rot. Bonds4

About 3-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119800089) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 3-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119800089
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name3-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCc1cc(C)cc(CCNC(=O)C2C3CCC(C3)C2N)c1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-11-7-12(2)9-13(8-11)5-6-20-18(21)16-14-3-4-15(10-14)17(16)19;/h7-9,14-17H,3-6,10,19H2,1-2H3,(H,20,21);1H
InChIKeyHWLCWYOTEMURTH-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(3-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119745498
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CID 119752651
3-amino-N-[2-(3,5-dichlorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119752652
9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990611
3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119677375
3-amino-N-[(2,4-dimethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119715901
3-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119778877
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119891748
3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119778488
3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 106415936
3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119704114
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-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119800089) is 3-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cc1cc(C)cc(CCNC(=O)C2C3CCC(C3)C2N)c1.Cl.
What is the InChIKey of 3-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is HWLCWYOTEMURTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c1-11-7-12(2)9-13(8-11)5-6-20-18(21)16-14-3-4-15(10-14)17(16)19;/h7-9,14-17H,3-6,10,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119800089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).