(ethoxycarbonylamino) N-butyl-N-cyclohexylcarbamate

C14H26N2O4 — CID 21389985

IUPAC(ethoxycarbonylamino) N-butyl-N-cyclohexylcarbamate
SMILESCCCCN(C(=O)ONC(=O)OCC)C1CCCCC1
InChIInChI=1S/C14H26N2O4/c1-3-5-11-16(12-9-7-6-8-10-12)14(18)20-15-13(17)19-4-2/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyQXIJQGUOMGTZGG-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.22
Rot. Bonds5

About (ethoxycarbonylamino) N-butyl-N-cyclohexylcarbamate

(ethoxycarbonylamino) N-butyl-N-cyclohexylcarbamate (PubChem CID 21389985) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is (ethoxycarbonylamino) N-butyl-N-cyclohexylcarbamate.

Molecular Properties

Compound Name(ethoxycarbonylamino) N-butyl-N-cyclohexylcarbamate
PubChem CID21389985
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name(ethoxycarbonylamino) N-butyl-N-cyclohexylcarbamate
SMILESCCCCN(C(=O)ONC(=O)OCC)C1CCCCC1
InChIInChI=1S/C14H26N2O4/c1-3-5-11-16(12-9-7-6-8-10-12)14(18)20-15-13(17)19-4-2/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyQXIJQGUOMGTZGG-UHFFFAOYSA-N
XLogP3.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.22
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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Related Compounds

(methoxycarbonylamino) N-butyl-N-cyclohexylcarbamate
CID 21389965
butyl N,N-dicyclohexylcarbamate
CID 13416417
N-(3-aminopropyl)-N-cycloheptylbutanamide
CID 43136885
N-(3-aminopropyl)-N-cycloheptylheptanamide
CID 114751887
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate
CID 135248450
3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide
CID 61443811
ethyl N-cyclohexyl-N-octadecoxycarbamate
CID 149251240
ethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate
CID 152645374
ethyl 4-[3-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 135248445
N-(3-aminopropyl)-N-cyclohexyl-3-propoxypropanamide
CID 62688230
3-amino-N-butyl-N-cyclopropylpropanamide
CID 60944847

Frequently Asked Questions

What is the IUPAC name of (ethoxycarbonylamino) N-butyl-N-cyclohexylcarbamate?
The IUPAC name of (ethoxycarbonylamino) N-butyl-N-cyclohexylcarbamate (CID 21389985) is (ethoxycarbonylamino) N-butyl-N-cyclohexylcarbamate.
What is the SMILES notation for (ethoxycarbonylamino) N-butyl-N-cyclohexylcarbamate?
The canonical SMILES for (ethoxycarbonylamino) N-butyl-N-cyclohexylcarbamate is CCCCN(C(=O)ONC(=O)OCC)C1CCCCC1.
What is the InChIKey of (ethoxycarbonylamino) N-butyl-N-cyclohexylcarbamate?
The InChIKey is QXIJQGUOMGTZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-5-11-16(12-9-7-6-8-10-12)14(18)20-15-13(17)19-4-2/h12H,3-11H2,1-2H3,(H,15,17).
What are the key properties of (ethoxycarbonylamino) N-butyl-N-cyclohexylcarbamate?
(ethoxycarbonylamino) N-butyl-N-cyclohexylcarbamate has a molecular weight of 286.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (ethoxycarbonylamino) N-butyl-N-cyclohexylcarbamate is sourced from PubChem (CID 21389985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).