3-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C17H25ClN2O3 — CID 119708873

IUPAC3-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCOc1cccc(CNC(=O)C2C3CCC(C3)C2N)c1OC.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-21-13-5-3-4-12(16(13)22-2)9-19-17(20)14-10-6-7-11(8-10)15(14)18;/h3-5,10-11,14-15H,6-9,18H2,1-2H3,(H,19,20);1H
InChIKeyGSSGBQMRVLNMQR-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.12
Rot. Bonds5

About 3-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119708873) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 3-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119708873
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name3-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCOc1cccc(CNC(=O)C2C3CCC(C3)C2N)c1OC.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-21-13-5-3-4-12(16(13)22-2)9-19-17(20)14-10-6-7-11(8-10)15(14)18;/h3-5,10-11,14-15H,6-9,18H2,1-2H3,(H,19,20);1H
InChIKeyGSSGBQMRVLNMQR-UHFFFAOYSA-N
XLogP2.12
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985305
3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700360
(1S,3S,4S)-4-amino-N-[(2,3-dimethoxyphenyl)methyl]-3-hydroxycyclohexane-1-carboxamide
CID 155508750
3-amino-N-[[2-(methylsulfonylmethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119808554
3-amino-N-[2-(2-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119804798
3-amino-N-(quinolin-8-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119868757
3-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119745081
3-amino-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119675800
3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119772874
3-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119774714
3-amino-N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119811481
cis-(1S,3R)-3-[(2,3-dimethoxyphenyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95389102

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119708873) is 3-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is COc1cccc(CNC(=O)C2C3CCC(C3)C2N)c1OC.Cl.
What is the InChIKey of 3-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is GSSGBQMRVLNMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-21-13-5-3-4-12(16(13)22-2)9-19-17(20)14-10-6-7-11(8-10)15(14)18;/h3-5,10-11,14-15H,6-9,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 3-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119708873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).