3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C20H31ClN2O3 — CID 119677375

IUPAC3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCOc1ccc(CCNC(=O)C2C3CCC(C3)C2N)cc1OCC.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-3-24-16-8-5-13(11-17(16)25-4-2)9-10-22-20(23)18-14-6-7-15(12-14)19(18)21;/h5,8,11,14-15,18-19H,3-4,6-7,9-10,12,21H2,1-2H3,(H,22,23);1H
InChIKeyBBNKTJXNZQQWJF-UHFFFAOYSA-N
MW382.93 g/mol
LogP2.94
Rot. Bonds8

About 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119677375) has the molecular formula C20H31ClN2O3 and a molecular weight of 382.93 g/mol. Its IUPAC name is 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119677375
Molecular FormulaC20H31ClN2O3
Molecular Weight382.93 g/mol
Exact Mass382.20
IUPAC Name3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCOc1ccc(CCNC(=O)C2C3CCC(C3)C2N)cc1OCC.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-3-24-16-8-5-13(11-17(16)25-4-2)9-10-22-20(23)18-14-6-7-15(12-14)19(18)21;/h5,8,11,14-15,18-19H,3-4,6-7,9-10,12,21H2,1-2H3,(H,22,23);1H
InChIKeyBBNKTJXNZQQWJF-UHFFFAOYSA-N
XLogP2.94
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.93
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119786388
3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119772874
3-amino-N-[2-(3-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119745498
3-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119800089
(2S,4S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616882
3-amino-N-[2-(3,5-dichlorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119752651
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119264764
1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108887610
3-amino-N-[2-(3,5-dichlorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119752652
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119264756
3-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119778877

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119677375) is 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CCOc1ccc(CCNC(=O)C2C3CCC(C3)C2N)cc1OCC.Cl.
What is the InChIKey of 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is BBNKTJXNZQQWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3.ClH/c1-3-24-16-8-5-13(11-17(16)25-4-2)9-10-22-20(23)18-14-6-7-15(12-14)19(18)21;/h5,8,11,14-15,18-19H,3-4,6-7,9-10,12,21H2,1-2H3,(H,22,23);1H.
What are the key properties of 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 382.93 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119677375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).