methyl N-[[5-(fluoromethoxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate

C14H25FN2O4 — CID 59012925

IUPACmethyl N-[[5-(fluoromethoxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate
SMILESCOC(=O)NCC1(C)CC(NC(=O)OCF)CC(C)(C)C1
InChIInChI=1S/C14H25FN2O4/c1-13(2)5-10(17-12(19)21-9-15)6-14(3,7-13)8-16-11(18)20-4/h10H,5-9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyBGQRVXLDLQGYPN-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.58
Rot. Bonds4

About methyl N-[[5-(fluoromethoxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate

methyl N-[[5-(fluoromethoxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate (PubChem CID 59012925) has the molecular formula C14H25FN2O4 and a molecular weight of 304.36 g/mol. Its IUPAC name is methyl N-[[5-(fluoromethoxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[5-(fluoromethoxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate
PubChem CID59012925
Molecular FormulaC14H25FN2O4
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Namemethyl N-[[5-(fluoromethoxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate
SMILESCOC(=O)NCC1(C)CC(NC(=O)OCF)CC(C)(C)C1
InChIInChI=1S/C14H25FN2O4/c1-13(2)5-10(17-12(19)21-9-15)6-14(3,7-13)8-16-11(18)20-4/h10H,5-9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyBGQRVXLDLQGYPN-UHFFFAOYSA-N
XLogP2.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[5-(fluoromethoxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate?
The IUPAC name of methyl N-[[5-(fluoromethoxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate (CID 59012925) is methyl N-[[5-(fluoromethoxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[5-(fluoromethoxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate?
The canonical SMILES for methyl N-[[5-(fluoromethoxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate is COC(=O)NCC1(C)CC(NC(=O)OCF)CC(C)(C)C1.
What is the InChIKey of methyl N-[[5-(fluoromethoxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate?
The InChIKey is BGQRVXLDLQGYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O4/c1-13(2)5-10(17-12(19)21-9-15)6-14(3,7-13)8-16-11(18)20-4/h10H,5-9H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of methyl N-[[5-(fluoromethoxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate?
methyl N-[[5-(fluoromethoxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate has a molecular weight of 304.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[5-(fluoromethoxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate is sourced from PubChem (CID 59012925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).