3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

C21H33Cl2N3O2 — CID 119859900

IUPAC3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)C2C3CCC(C3)C2N)N2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C21H31N3O2.2ClH/c1-14-2-4-15(5-3-14)18(24-8-10-26-11-9-24)13-23-21(25)19-16-6-7-17(12-16)20(19)22;;/h2-5,16-20H,6-13,22H2,1H3,(H,23,25);2*1H
InChIKeyRNOJPNVGEIEAET-UHFFFAOYSA-N
MW430.42 g/mol
LogP2.70
Rot. Bonds5

About 3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (PubChem CID 119859900) has the molecular formula C21H33Cl2N3O2 and a molecular weight of 430.42 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
PubChem CID119859900
Molecular FormulaC21H33Cl2N3O2
Molecular Weight430.42 g/mol
Exact Mass429.19
IUPAC Name3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)C2C3CCC(C3)C2N)N2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C21H31N3O2.2ClH/c1-14-2-4-15(5-3-14)18(24-8-10-26-11-9-24)13-23-21(25)19-16-6-7-17(12-16)20(19)22;;/h2-5,16-20H,6-13,22H2,1H3,(H,23,25);2*1H
InChIKeyRNOJPNVGEIEAET-UHFFFAOYSA-N
XLogP2.70
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 51630213
3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119841278
(2S,5R)-5-(aminomethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide;dihydrochloride
CID 120798775
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 119859927
1-cyclopropyl-3-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 51710229
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
CID 52984360
1-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119859906
4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride
CID 120564908
3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119831481
(2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 119859917
1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide
CID 55900196

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (CID 119859900) is 3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is Cc1ccc(C(CNC(=O)C2C3CCC(C3)C2N)N2CCOCC2)cc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The InChIKey is RNOJPNVGEIEAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2.2ClH/c1-14-2-4-15(5-3-14)18(24-8-10-26-11-9-24)13-23-21(25)19-16-6-7-17(12-16)20(19)22;;/h2-5,16-20H,6-13,22H2,1H3,(H,23,25);2*1H.
What are the key properties of 3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
3-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride has a molecular weight of 430.42 g/mol, XLogP of 2.70, 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-(4-methylphenyl)-2-morpholin-4-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119859900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).