(3-carbamoyloxy-2-phenylpropyl) carbamate

C11H14N2O4 — CID 3331

IUPAC(3-carbamoyloxy-2-phenylpropyl) carbamate
SMILESNC(=O)OCC(COC(N)=O)c1ccccc1
InChIInChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)
InChIKeyWKGXYQFOCVYPAC-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.96
Rot. Bonds5

About (3-carbamoyloxy-2-phenylpropyl) carbamate

(3-carbamoyloxy-2-phenylpropyl) carbamate (PubChem CID 3331) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (3-carbamoyloxy-2-phenylpropyl) carbamate.

Molecular Properties

Compound Name(3-carbamoyloxy-2-phenylpropyl) carbamate
PubChem CID3331
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(3-carbamoyloxy-2-phenylpropyl) carbamate
SMILESNC(=O)OCC(COC(N)=O)c1ccccc1
InChIInChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)
InChIKeyWKGXYQFOCVYPAC-UHFFFAOYSA-N
XLogP0.96
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Phenprobamate
CID 4770
2-Phenyl-1,3-propanediol monocarbamate
CID 213060
2-Hydroxyfelbamate
CID 10400039
Felbamate hydrate
CID 23581812
2,2-Diphenyl-1,3-propanediol dicarbamate
CID 97256
alpha-(((Aminocarbonyl)oxy)methyl)benzeneacetic acid
CID 3025746
Phenethyl carbamate
CID 233105
Benzeneethanol, beta-ethyl-, 1-carbamate
CID 59898507
Fluorofelbamate
CID 6918615
Betaquil
CID 12825
1,3-Propanediol, 2-methyl-2-phenyl-, dicarbamate
CID 89605
2-Propanol, 1-(phenethyloxy)-3-(2-propynyloxy)-, carbamate
CID 204378

Frequently Asked Questions

What is the IUPAC name of (3-carbamoyloxy-2-phenylpropyl) carbamate?
The IUPAC name of (3-carbamoyloxy-2-phenylpropyl) carbamate (CID 3331) is (3-carbamoyloxy-2-phenylpropyl) carbamate.
What is the SMILES notation for (3-carbamoyloxy-2-phenylpropyl) carbamate?
The canonical SMILES for (3-carbamoyloxy-2-phenylpropyl) carbamate is NC(=O)OCC(COC(N)=O)c1ccccc1.
What is the InChIKey of (3-carbamoyloxy-2-phenylpropyl) carbamate?
The InChIKey is WKGXYQFOCVYPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15).
What are the key properties of (3-carbamoyloxy-2-phenylpropyl) carbamate?
(3-carbamoyloxy-2-phenylpropyl) carbamate has a molecular weight of 238.24 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyloxy-2-phenylpropyl) carbamate is sourced from PubChem (CID 3331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).