tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate

C24H32N2O3 — CID 9191948

IUPACtert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C24H32N2O3/c1-15(2)19-12-9-13-20(16(3)4)21(19)26-22(27)17-10-8-11-18(14-17)25-23(28)29-24(5,6)7/h8-16H,1-7H3,(H,25,28)(H,26,27)
InChIKeyDJMXYRRXEVXSFM-UHFFFAOYSA-N
MW396.53 g/mol
LogP6.53
Rot. Bonds5

About tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate

tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate (PubChem CID 9191948) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate
PubChem CID9191948
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Nametert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C24H32N2O3/c1-15(2)19-12-9-13-20(16(3)4)21(19)26-22(27)17-10-8-11-18(14-17)25-23(28)29-24(5,6)7/h8-16H,1-7H3,(H,25,28)(H,26,27)
InChIKeyDJMXYRRXEVXSFM-UHFFFAOYSA-N
XLogP6.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
CID 51204750
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506
tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate
CID 27667153
3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 6951350
2-methyl-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]propanoic acid
CID 139196938
tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate
CID 131844196
tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate
CID 65142644
tert-butyl N-[3-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]phenyl]carbamate
CID 166833071
tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate
CID 7667817
tert-butyl N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]carbamate
CID 29197905
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate (CID 9191948) is tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate is CC(C)c1cccc(C(C)C)c1NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate?
The InChIKey is DJMXYRRXEVXSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-15(2)19-12-9-13-20(16(3)4)21(19)26-22(27)17-10-8-11-18(14-17)25-23(28)29-24(5,6)7/h8-16H,1-7H3,(H,25,28)(H,26,27).
What are the key properties of tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate?
tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate has a molecular weight of 396.53 g/mol, XLogP of 6.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 9191948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).