3-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride

C19H30Cl3N3O2 — CID 119875146

IUPAC3-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)NCC(c2cccc(Cl)c2)N2CCOCC2)C1
InChIInChI=1S/C19H28ClN3O2.2ClH/c20-16-5-1-3-14(11-16)18(23-7-9-25-10-8-23)13-22-19(24)15-4-2-6-17(21)12-15;;/h1,3,5,11,15,17-18H,2,4,6-10,12-13,21H2,(H,22,24);2*1H
InChIKeyRXGDNEBANSOSQL-UHFFFAOYSA-N
MW438.83 g/mol
LogP3.19
Rot. Bonds5

About 3-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119875146) has the molecular formula C19H30Cl3N3O2 and a molecular weight of 438.83 g/mol. Its IUPAC name is 3-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119875146
Molecular FormulaC19H30Cl3N3O2
Molecular Weight438.83 g/mol
Exact Mass437.14
IUPAC Name3-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)NCC(c2cccc(Cl)c2)N2CCOCC2)C1
InChIInChI=1S/C19H28ClN3O2.2ClH/c20-16-5-1-3-14(11-16)18(23-7-9-25-10-8-23)13-22-19(24)15-4-2-6-17(21)12-15;;/h1,3,5,11,15,17-18H,2,4,6-10,12-13,21H2,(H,22,24);2*1H
InChIKeyRXGDNEBANSOSQL-UHFFFAOYSA-N
XLogP3.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.83
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119853222
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide
CID 119830140
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119875158
N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
2-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(oxan-4-yl)acetamide
CID 120799806
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]oxolane-2-carboxamide
CID 112506807
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119807217
3-amino-N-[(3-chlorophenyl)-phenylmethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119736446
(2S,4S)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634641
3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119792588
1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea
CID 95315480

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119875146) is 3-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCCC(C(=O)NCC(c2cccc(Cl)c2)N2CCOCC2)C1.
What is the InChIKey of 3-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is RXGDNEBANSOSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2.2ClH/c20-16-5-1-3-14(11-16)18(23-7-9-25-10-8-23)13-22-19(24)15-4-2-6-17(21)12-15;;/h1,3,5,11,15,17-18H,2,4,6-10,12-13,21H2,(H,22,24);2*1H.
What are the key properties of 3-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 438.83 g/mol, XLogP of 3.19, 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-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119875146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).