1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride

C18H31Cl2N3O3 — CID 119837797

IUPAC1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)C2(N)CCCCC2)N2CCOCC2)o1.Cl.Cl
InChIInChI=1S/C18H29N3O3.2ClH/c1-14-5-6-16(24-14)15(21-9-11-23-12-10-21)13-20-17(22)18(19)7-3-2-4-8-18;;/h5-6,15H,2-4,7-13,19H2,1H3,(H,20,22);2*1H
InChIKeyBLTIJXSEVQNXRE-UHFFFAOYSA-N
MW408.37 g/mol
LogP2.58
Rot. Bonds5

About 1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride

1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119837797) has the molecular formula C18H31Cl2N3O3 and a molecular weight of 408.37 g/mol. Its IUPAC name is 1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119837797
Molecular FormulaC18H31Cl2N3O3
Molecular Weight408.37 g/mol
Exact Mass407.17
IUPAC Name1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)C2(N)CCCCC2)N2CCOCC2)o1.Cl.Cl
InChIInChI=1S/C18H29N3O3.2ClH/c1-14-5-6-16(24-14)15(21-9-11-23-12-10-21)13-20-17(22)18(19)7-3-2-4-8-18;;/h5-6,15H,2-4,7-13,19H2,1H3,(H,20,22);2*1H
InChIKeyBLTIJXSEVQNXRE-UHFFFAOYSA-N
XLogP2.58
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

1-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119859906
1-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide
CID 119853255
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
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3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060
1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 97071225
2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119837781
(2S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
CID 94180518
1-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylurea
CID 30089006
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
3-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119837767
N-[2-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 55649335

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119837797) is 1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride is Cc1ccc(C(CNC(=O)C2(N)CCCCC2)N2CCOCC2)o1.Cl.Cl.
What is the InChIKey of 1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is BLTIJXSEVQNXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3.2ClH/c1-14-5-6-16(24-14)15(21-9-11-23-12-10-21)13-20-17(22)18(19)7-3-2-4-8-18;;/h5-6,15H,2-4,7-13,19H2,1H3,(H,20,22);2*1H.
What are the key properties of 1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 408.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119837797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).