[4-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate

C16H24N2O4 — CID 3764428

IUPAC[4-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(OC(=O)N(CC)CC)cc1
InChIInChI=1S/C16H24N2O4/c1-5-17(6-2)15(19)21-13-9-11-14(12-10-13)22-16(20)18(7-3)8-4/h9-12H,5-8H2,1-4H3
InChIKeyICTNGDSBYCLOIG-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.37
Rot. Bonds6

About [4-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate

[4-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate (PubChem CID 3764428) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is [4-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[4-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate
PubChem CID3764428
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name[4-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(OC(=O)N(CC)CC)cc1
InChIInChI=1S/C16H24N2O4/c1-5-17(6-2)15(19)21-13-9-11-14(12-10-13)22-16(20)18(7-3)8-4/h9-12H,5-8H2,1-4H3
InChIKeyICTNGDSBYCLOIG-UHFFFAOYSA-N
XLogP3.37
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate?
The IUPAC name of [4-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate (CID 3764428) is [4-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate.
What is the SMILES notation for [4-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate?
The canonical SMILES for [4-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc(OC(=O)N(CC)CC)cc1.
What is the InChIKey of [4-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate?
The InChIKey is ICTNGDSBYCLOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-5-17(6-2)15(19)21-13-9-11-14(12-10-13)22-16(20)18(7-3)8-4/h9-12H,5-8H2,1-4H3.
What are the key properties of [4-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate?
[4-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate has a molecular weight of 308.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate is sourced from PubChem (CID 3764428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).