3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C22H33ClN2O3 — CID 119749561

IUPAC3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCOc1ccc(C2(CNC(=O)C3C4CCC(C4)C3N)CCOCC2)cc1.Cl
InChIInChI=1S/C22H32N2O3.ClH/c1-2-27-18-7-5-17(6-8-18)22(9-11-26-12-10-22)14-24-21(25)19-15-3-4-16(13-15)20(19)23;/h5-8,15-16,19-20H,2-4,9-14,23H2,1H3,(H,24,25);1H
InChIKeyTUUOIOSSSONOIL-UHFFFAOYSA-N
MW408.97 g/mol
LogP3.04
Rot. Bonds6

About 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119749561) has the molecular formula C22H33ClN2O3 and a molecular weight of 408.97 g/mol. Its IUPAC name is 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119749561
Molecular FormulaC22H33ClN2O3
Molecular Weight408.97 g/mol
Exact Mass408.22
IUPAC Name3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCOc1ccc(C2(CNC(=O)C3C4CCC(C4)C3N)CCOCC2)cc1.Cl
InChIInChI=1S/C22H32N2O3.ClH/c1-2-27-18-7-5-17(6-8-18)22(9-11-26-12-10-22)14-24-21(25)19-15-3-4-16(13-15)20(19)23;/h5-8,15-16,19-20H,2-4,9-14,23H2,1H3,(H,24,25);1H
InChIKeyTUUOIOSSSONOIL-UHFFFAOYSA-N
XLogP3.04
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.97
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749600
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119303754
3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119698155
2-(cyclopropylmethylamino)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119749575
2-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120789798
(2R,6R)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2,6-dimethylpiperidine-1-carboxamide
CID 97333276
5-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120625639
5-[[4-(4-ethoxyphenyl)oxan-4-yl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685263
3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119950588
ethyl 1-[N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111157195
(E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
CID 94650415
3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide
CID 60573347

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119749561) is 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CCOc1ccc(C2(CNC(=O)C3C4CCC(C4)C3N)CCOCC2)cc1.Cl.
What is the InChIKey of 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is TUUOIOSSSONOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3.ClH/c1-2-27-18-7-5-17(6-8-18)22(9-11-26-12-10-22)14-24-21(25)19-15-3-4-16(13-15)20(19)23;/h5-8,15-16,19-20H,2-4,9-14,23H2,1H3,(H,24,25);1H.
What are the key properties of 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 408.97 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119749561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).