tert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid

C14H26N2O4 — CID 87114483

IUPACtert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid
SMILESCON(C)C(=O)C1CCC(N(C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C14H26N2O4/c1-14(2,3)16(13(18)19)11-8-6-10(7-9-11)12(17)15(4)20-5/h10-11H,6-9H2,1-5H3,(H,18,19)
InChIKeyFQMGQEPQUICFOQ-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.34
Rot. Bonds3

About tert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid

tert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid (PubChem CID 87114483) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid
PubChem CID87114483
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid
SMILESCON(C)C(=O)C1CCC(N(C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C14H26N2O4/c1-14(2,3)16(13(18)19)11-8-6-10(7-9-11)12(17)15(4)20-5/h10-11H,6-9H2,1-5H3,(H,18,19)
InChIKeyFQMGQEPQUICFOQ-UHFFFAOYSA-N
XLogP2.34
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid?
The IUPAC name of tert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid (CID 87114483) is tert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid.
What is the SMILES notation for tert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid?
The canonical SMILES for tert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid is CON(C)C(=O)C1CCC(N(C(=O)O)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid?
The InChIKey is FQMGQEPQUICFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-14(2,3)16(13(18)19)11-8-6-10(7-9-11)12(17)15(4)20-5/h10-11H,6-9H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid?
tert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid has a molecular weight of 286.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid is sourced from PubChem (CID 87114483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).