3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C17H25ClN2O3 — CID 119723456

IUPAC3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCOCCOc1cccc(NC(=O)C2C3CCC(C3)C2N)c1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-21-7-8-22-14-4-2-3-13(10-14)19-17(20)15-11-5-6-12(9-11)16(15)18;/h2-4,10-12,15-16H,5-9,18H2,1H3,(H,19,20);1H
InChIKeyITSQRUOKNTUUHN-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.45
Rot. Bonds6

About 3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119723456) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119723456
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCOCCOc1cccc(NC(=O)C2C3CCC(C3)C2N)c1.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-21-7-8-22-14-4-2-3-13(10-14)19-17(20)15-11-5-6-12(9-11)16(15)18;/h2-4,10-12,15-16H,5-9,18H2,1H3,(H,19,20);1H
InChIKeyITSQRUOKNTUUHN-UHFFFAOYSA-N
XLogP2.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[3-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119714886
3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119702079
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119713684
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119846156
3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119884835
2-amino-N-[3-(2-methoxyethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119723449
3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702041
methyl 2-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methylsulfanyl]acetate;hydrochloride
CID 119775532
3-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119722895
3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 55879231
3-amino-N-[3-(3-ethoxypropylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119717787

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119723456) is 3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is COCCOc1cccc(NC(=O)C2C3CCC(C3)C2N)c1.Cl.
What is the InChIKey of 3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is ITSQRUOKNTUUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-21-7-8-22-14-4-2-3-13(10-14)19-17(20)15-11-5-6-12(9-11)16(15)18;/h2-4,10-12,15-16H,5-9,18H2,1H3,(H,19,20);1H.
What are the key properties of 3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119723456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).