[2,6-di(propan-2-yl)phenyl] N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate

C26H36N2O3 — CID 10410114

IUPAC[2,6-di(propan-2-yl)phenyl] N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H36N2O3/c1-15(2)19-11-9-12-20(16(3)4)23(19)27-25(29)28-26(30)31-24-21(17(5)6)13-10-14-22(24)18(7)8/h9-18H,1-8H3,(H2,27,28,29,30)
InChIKeyNBDZRRNRSXXKMK-UHFFFAOYSA-N
MW424.59 g/mol
LogP7.50
Rot. Bonds6

About [2,6-di(propan-2-yl)phenyl] N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate

[2,6-di(propan-2-yl)phenyl] N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate (PubChem CID 10410114) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl] N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl] N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate
PubChem CID10410114
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC Name[2,6-di(propan-2-yl)phenyl] N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H36N2O3/c1-15(2)19-11-9-12-20(16(3)4)23(19)27-25(29)28-26(30)31-24-21(17(5)6)13-10-14-22(24)18(7)8/h9-18H,1-8H3,(H2,27,28,29,30)
InChIKeyNBDZRRNRSXXKMK-UHFFFAOYSA-N
XLogP7.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl] N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate?
The IUPAC name of [2,6-di(propan-2-yl)phenyl] N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate (CID 10410114) is [2,6-di(propan-2-yl)phenyl] N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate.
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl] N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl] N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate is CC(C)c1cccc(C(C)C)c1NC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of [2,6-di(propan-2-yl)phenyl] N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate?
The InChIKey is NBDZRRNRSXXKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-15(2)19-11-9-12-20(16(3)4)23(19)27-25(29)28-26(30)31-24-21(17(5)6)13-10-14-22(24)18(7)8/h9-18H,1-8H3,(H2,27,28,29,30).
What are the key properties of [2,6-di(propan-2-yl)phenyl] N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate?
[2,6-di(propan-2-yl)phenyl] N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate has a molecular weight of 424.59 g/mol, XLogP of 7.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl] N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate is sourced from PubChem (CID 10410114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).