tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate

C16H24N2O3 — CID 51204750

IUPACtert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-15(2,3)18-13(19)11-8-7-9-12(10-11)17-14(20)21-16(4,5)6/h7-10H,1-6H3,(H,17,20)(H,18,19)
InChIKeyJJQQDFZDRDSLTP-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.56
Rot. Bonds2

About tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate

tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate (PubChem CID 51204750) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
PubChem CID51204750
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-15(2,3)18-13(19)11-8-7-9-12(10-11)17-14(20)21-16(4,5)6/h7-10H,1-6H3,(H,17,20)(H,18,19)
InChIKeyJJQQDFZDRDSLTP-UHFFFAOYSA-N
XLogP3.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]propanoic acid
CID 139196938
3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 6951350
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
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate
CID 9191948
tert-butyl N-[3-[2-(1H-1,2,4-triazol-5-yl)propan-2-ylcarbamoyl]phenyl]carbamate
CID 138013847
tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate
CID 7667817
tert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate
CID 9272226
tert-butyl N-[3-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]phenyl]carbamate
CID 166833071
tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate
CID 27667153
tert-butyl N-[3-[2-(methylamino)acetyl]phenyl]carbamate
CID 117415391

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate (CID 51204750) is tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate is CC(C)(C)NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate?
The InChIKey is JJQQDFZDRDSLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-15(2,3)18-13(19)11-8-7-9-12(10-11)17-14(20)21-16(4,5)6/h7-10H,1-6H3,(H,17,20)(H,18,19).
What are the key properties of tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate?
tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 51204750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).