potassium;formamidomethyl 1-[(4-bromophenyl)methoxy]cyclohexane-1-carboxylate;hydride

C16H21BrKNO4 — CID 173191033

IUPACpotassium;formamidomethyl 1-[(4-bromophenyl)methoxy]cyclohexane-1-carboxylate;hydride
SMILESO=CNCOC(=O)C1(OCc2ccc(Br)cc2)CCCCC1.[H-].[K+]
InChIInChI=1S/C16H20BrNO4.K.H/c17-14-6-4-13(5-7-14)10-22-16(8-2-1-3-9-16)15(20)21-12-18-11-19;;/h4-7,11H,1-3,8-10,12H2,(H,18,19);;/q;+1;-1
InChIKeyGVLIKZGTTKJTNW-UHFFFAOYSA-N
MW410.35 g/mol
LogP0.03
Rot. Bonds7

About potassium;formamidomethyl 1-[(4-bromophenyl)methoxy]cyclohexane-1-carboxylate;hydride

potassium;formamidomethyl 1-[(4-bromophenyl)methoxy]cyclohexane-1-carboxylate;hydride (PubChem CID 173191033) has the molecular formula C16H21BrKNO4 and a molecular weight of 410.35 g/mol. Its IUPAC name is potassium;formamidomethyl 1-[(4-bromophenyl)methoxy]cyclohexane-1-carboxylate;hydride.

Molecular Properties

Compound Namepotassium;formamidomethyl 1-[(4-bromophenyl)methoxy]cyclohexane-1-carboxylate;hydride
PubChem CID173191033
Molecular FormulaC16H21BrKNO4
Molecular Weight410.35 g/mol
Exact Mass409.03
IUPAC Namepotassium;formamidomethyl 1-[(4-bromophenyl)methoxy]cyclohexane-1-carboxylate;hydride
SMILESO=CNCOC(=O)C1(OCc2ccc(Br)cc2)CCCCC1.[H-].[K+]
InChIInChI=1S/C16H20BrNO4.K.H/c17-14-6-4-13(5-7-14)10-22-16(8-2-1-3-9-16)15(20)21-12-18-11-19;;/h4-7,11H,1-3,8-10,12H2,(H,18,19);;/q;+1;-1
InChIKeyGVLIKZGTTKJTNW-UHFFFAOYSA-N
XLogP0.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of potassium;formamidomethyl 1-[(4-bromophenyl)methoxy]cyclohexane-1-carboxylate;hydride?
The IUPAC name of potassium;formamidomethyl 1-[(4-bromophenyl)methoxy]cyclohexane-1-carboxylate;hydride (CID 173191033) is potassium;formamidomethyl 1-[(4-bromophenyl)methoxy]cyclohexane-1-carboxylate;hydride.
What is the SMILES notation for potassium;formamidomethyl 1-[(4-bromophenyl)methoxy]cyclohexane-1-carboxylate;hydride?
The canonical SMILES for potassium;formamidomethyl 1-[(4-bromophenyl)methoxy]cyclohexane-1-carboxylate;hydride is O=CNCOC(=O)C1(OCc2ccc(Br)cc2)CCCCC1.[H-].[K+].
What is the InChIKey of potassium;formamidomethyl 1-[(4-bromophenyl)methoxy]cyclohexane-1-carboxylate;hydride?
The InChIKey is GVLIKZGTTKJTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO4.K.H/c17-14-6-4-13(5-7-14)10-22-16(8-2-1-3-9-16)15(20)21-12-18-11-19;;/h4-7,11H,1-3,8-10,12H2,(H,18,19);;/q;+1;-1.
What are the key properties of potassium;formamidomethyl 1-[(4-bromophenyl)methoxy]cyclohexane-1-carboxylate;hydride?
potassium;formamidomethyl 1-[(4-bromophenyl)methoxy]cyclohexane-1-carboxylate;hydride has a molecular weight of 410.35 g/mol, XLogP of 0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;formamidomethyl 1-[(4-bromophenyl)methoxy]cyclohexane-1-carboxylate;hydride is sourced from PubChem (CID 173191033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).