magnesium;formamidomethyl 1-[(4-methoxyphenyl)methoxy]cyclohexane-1-carboxylate;hydride

C17H25MgNO5 — CID 173191029

IUPACmagnesium;formamidomethyl 1-[(4-methoxyphenyl)methoxy]cyclohexane-1-carboxylate;hydride
SMILESCOc1ccc(COC2(C(=O)OCNC=O)CCCCC2)cc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C17H23NO5.Mg.2H/c1-21-15-7-5-14(6-8-15)11-23-17(9-3-2-4-10-17)16(20)22-13-18-12-19;;;/h5-8,12H,2-4,9-11,13H2,1H3,(H,18,19);;;/q;+2;2*-1
InChIKeyRDIWRNPUBQBTGR-UHFFFAOYSA-N
MW347.69 g/mol
LogP2.01
Rot. Bonds8

About magnesium;formamidomethyl 1-[(4-methoxyphenyl)methoxy]cyclohexane-1-carboxylate;hydride

magnesium;formamidomethyl 1-[(4-methoxyphenyl)methoxy]cyclohexane-1-carboxylate;hydride (PubChem CID 173191029) has the molecular formula C17H25MgNO5 and a molecular weight of 347.69 g/mol. Its IUPAC name is magnesium;formamidomethyl 1-[(4-methoxyphenyl)methoxy]cyclohexane-1-carboxylate;hydride.

Molecular Properties

Compound Namemagnesium;formamidomethyl 1-[(4-methoxyphenyl)methoxy]cyclohexane-1-carboxylate;hydride
PubChem CID173191029
Molecular FormulaC17H25MgNO5
Molecular Weight347.69 g/mol
Exact Mass347.16
IUPAC Namemagnesium;formamidomethyl 1-[(4-methoxyphenyl)methoxy]cyclohexane-1-carboxylate;hydride
SMILESCOc1ccc(COC2(C(=O)OCNC=O)CCCCC2)cc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C17H23NO5.Mg.2H/c1-21-15-7-5-14(6-8-15)11-23-17(9-3-2-4-10-17)16(20)22-13-18-12-19;;;/h5-8,12H,2-4,9-11,13H2,1H3,(H,18,19);;;/q;+2;2*-1
InChIKeyRDIWRNPUBQBTGR-UHFFFAOYSA-N
XLogP2.01
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.69
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

potassium;formamidomethyl 1-[(4-bromophenyl)methoxy]cyclohexane-1-carboxylate;hydride
CID 173191033
(4-methoxyphenyl)methyl 1-aminocycloheptane-1-carboxylate
CID 61304508
(4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate
CID 18404452
(4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate
CID 64701200
1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 114773651
[1-(4-methoxybenzoyl)cyclohexyl] formate
CID 87509300
1-(1-methoxycycloheptyl)-3-(4-methoxyphenyl)propan-1-one
CID 116750532
1-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]cyclohexane-1-carboxamide
CID 119316937
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69475295
1-ethoxy-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100729423
1-formamido-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 15065034
N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100713654

Frequently Asked Questions

What is the IUPAC name of magnesium;formamidomethyl 1-[(4-methoxyphenyl)methoxy]cyclohexane-1-carboxylate;hydride?
The IUPAC name of magnesium;formamidomethyl 1-[(4-methoxyphenyl)methoxy]cyclohexane-1-carboxylate;hydride (CID 173191029) is magnesium;formamidomethyl 1-[(4-methoxyphenyl)methoxy]cyclohexane-1-carboxylate;hydride.
What is the SMILES notation for magnesium;formamidomethyl 1-[(4-methoxyphenyl)methoxy]cyclohexane-1-carboxylate;hydride?
The canonical SMILES for magnesium;formamidomethyl 1-[(4-methoxyphenyl)methoxy]cyclohexane-1-carboxylate;hydride is COc1ccc(COC2(C(=O)OCNC=O)CCCCC2)cc1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;formamidomethyl 1-[(4-methoxyphenyl)methoxy]cyclohexane-1-carboxylate;hydride?
The InChIKey is RDIWRNPUBQBTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5.Mg.2H/c1-21-15-7-5-14(6-8-15)11-23-17(9-3-2-4-10-17)16(20)22-13-18-12-19;;;/h5-8,12H,2-4,9-11,13H2,1H3,(H,18,19);;;/q;+2;2*-1.
What are the key properties of magnesium;formamidomethyl 1-[(4-methoxyphenyl)methoxy]cyclohexane-1-carboxylate;hydride?
magnesium;formamidomethyl 1-[(4-methoxyphenyl)methoxy]cyclohexane-1-carboxylate;hydride has a molecular weight of 347.69 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;formamidomethyl 1-[(4-methoxyphenyl)methoxy]cyclohexane-1-carboxylate;hydride is sourced from PubChem (CID 173191029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).