(methoxycarbonylamino) N-butyl-N-cyclohexylcarbamate

C13H24N2O4 — CID 21389965

IUPAC(methoxycarbonylamino) N-butyl-N-cyclohexylcarbamate
SMILESCCCCN(C(=O)ONC(=O)OC)C1CCCCC1
InChIInChI=1S/C13H24N2O4/c1-3-4-10-15(11-8-6-5-7-9-11)13(17)19-14-12(16)18-2/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyLBVRGVJVIMLWIP-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.83
Rot. Bonds4

About (methoxycarbonylamino) N-butyl-N-cyclohexylcarbamate

(methoxycarbonylamino) N-butyl-N-cyclohexylcarbamate (PubChem CID 21389965) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is (methoxycarbonylamino) N-butyl-N-cyclohexylcarbamate.

Molecular Properties

Compound Name(methoxycarbonylamino) N-butyl-N-cyclohexylcarbamate
PubChem CID21389965
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name(methoxycarbonylamino) N-butyl-N-cyclohexylcarbamate
SMILESCCCCN(C(=O)ONC(=O)OC)C1CCCCC1
InChIInChI=1S/C13H24N2O4/c1-3-4-10-15(11-8-6-5-7-9-11)13(17)19-14-12(16)18-2/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyLBVRGVJVIMLWIP-UHFFFAOYSA-N
XLogP2.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (methoxycarbonylamino) N-butyl-N-cyclohexylcarbamate?
The IUPAC name of (methoxycarbonylamino) N-butyl-N-cyclohexylcarbamate (CID 21389965) is (methoxycarbonylamino) N-butyl-N-cyclohexylcarbamate.
What is the SMILES notation for (methoxycarbonylamino) N-butyl-N-cyclohexylcarbamate?
The canonical SMILES for (methoxycarbonylamino) N-butyl-N-cyclohexylcarbamate is CCCCN(C(=O)ONC(=O)OC)C1CCCCC1.
What is the InChIKey of (methoxycarbonylamino) N-butyl-N-cyclohexylcarbamate?
The InChIKey is LBVRGVJVIMLWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-4-10-15(11-8-6-5-7-9-11)13(17)19-14-12(16)18-2/h11H,3-10H2,1-2H3,(H,14,16).
What are the key properties of (methoxycarbonylamino) N-butyl-N-cyclohexylcarbamate?
(methoxycarbonylamino) N-butyl-N-cyclohexylcarbamate has a molecular weight of 272.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (methoxycarbonylamino) N-butyl-N-cyclohexylcarbamate is sourced from PubChem (CID 21389965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).