tert-butyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate

C24H32N2O3 — CID 11732025

IUPACtert-butyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate
SMILESCC(C)CCNC(=O)c1ccccc1-c1ccccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C24H32N2O3/c1-17(2)14-15-25-22(27)21-13-9-8-12-20(21)19-11-7-6-10-18(19)16-26-23(28)29-24(3,4)5/h6-13,17H,14-16H2,1-5H3,(H,25,27)(H,26,28)
InChIKeyHGUQKHLEQWUNSX-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.15
Rot. Bonds7

About tert-butyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate

tert-butyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate (PubChem CID 11732025) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is tert-butyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate
PubChem CID11732025
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Nametert-butyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate
SMILESCC(C)CCNC(=O)c1ccccc1-c1ccccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C24H32N2O3/c1-17(2)14-15-25-22(27)21-13-9-8-12-20(21)19-11-7-6-10-18(19)16-26-23(28)29-24(3,4)5/h6-13,17H,14-16H2,1-5H3,(H,25,27)(H,26,28)
InChIKeyHGUQKHLEQWUNSX-UHFFFAOYSA-N
XLogP5.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate (CID 11732025) is tert-butyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate is CC(C)CCNC(=O)c1ccccc1-c1ccccc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate?
The InChIKey is HGUQKHLEQWUNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-17(2)14-15-25-22(27)21-13-9-8-12-20(21)19-11-7-6-10-18(19)16-26-23(28)29-24(3,4)5/h6-13,17H,14-16H2,1-5H3,(H,25,27)(H,26,28).
What are the key properties of tert-butyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate?
tert-butyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate has a molecular weight of 396.53 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate is sourced from PubChem (CID 11732025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).