2-(diphenylcarbamoyloxy)butyl N,N-diphenylcarbamate

C30H28N2O4 — CID 118272270

IUPAC2-(diphenylcarbamoyloxy)butyl N,N-diphenylcarbamate
SMILESCCC(COC(=O)N(c1ccccc1)c1ccccc1)OC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H28N2O4/c1-2-28(36-30(34)32(26-19-11-5-12-20-26)27-21-13-6-14-22-27)23-35-29(33)31(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h3-22,28H,2,23H2,1H3
InChIKeyRVLYSWXBGTXGAL-UHFFFAOYSA-N
MW480.56 g/mol
LogP7.71
Rot. Bonds8

About 2-(diphenylcarbamoyloxy)butyl N,N-diphenylcarbamate

2-(diphenylcarbamoyloxy)butyl N,N-diphenylcarbamate (PubChem CID 118272270) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is 2-(diphenylcarbamoyloxy)butyl N,N-diphenylcarbamate.

Molecular Properties

Compound Name2-(diphenylcarbamoyloxy)butyl N,N-diphenylcarbamate
PubChem CID118272270
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC Name2-(diphenylcarbamoyloxy)butyl N,N-diphenylcarbamate
SMILESCCC(COC(=O)N(c1ccccc1)c1ccccc1)OC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H28N2O4/c1-2-28(36-30(34)32(26-19-11-5-12-20-26)27-21-13-6-14-22-27)23-35-29(33)31(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h3-22,28H,2,23H2,1H3
InChIKeyRVLYSWXBGTXGAL-UHFFFAOYSA-N
XLogP7.71
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diphenylcarbamoyloxy)butyl N,N-diphenylcarbamate?
The IUPAC name of 2-(diphenylcarbamoyloxy)butyl N,N-diphenylcarbamate (CID 118272270) is 2-(diphenylcarbamoyloxy)butyl N,N-diphenylcarbamate.
What is the SMILES notation for 2-(diphenylcarbamoyloxy)butyl N,N-diphenylcarbamate?
The canonical SMILES for 2-(diphenylcarbamoyloxy)butyl N,N-diphenylcarbamate is CCC(COC(=O)N(c1ccccc1)c1ccccc1)OC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(diphenylcarbamoyloxy)butyl N,N-diphenylcarbamate?
The InChIKey is RVLYSWXBGTXGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-2-28(36-30(34)32(26-19-11-5-12-20-26)27-21-13-6-14-22-27)23-35-29(33)31(24-15-7-3-8-16-24)25-17-9-4-10-18-25/h3-22,28H,2,23H2,1H3.
What are the key properties of 2-(diphenylcarbamoyloxy)butyl N,N-diphenylcarbamate?
2-(diphenylcarbamoyloxy)butyl N,N-diphenylcarbamate has a molecular weight of 480.56 g/mol, XLogP of 7.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diphenylcarbamoyloxy)butyl N,N-diphenylcarbamate is sourced from PubChem (CID 118272270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).