[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate

C14H20N2O4 — CID 135073898

IUPAC[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-12(17)15-10-6-8-11(9-7-10)19-13(18)16(4)5/h6-9H,1-5H3,(H,15,17)
InChIKeyMYFMNPLZEBCMAW-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.09
Rot. Bonds2

About [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate

[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate (PubChem CID 135073898) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate
PubChem CID135073898
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-12(17)15-10-6-8-11(9-7-10)19-13(18)16(4)5/h6-9H,1-5H3,(H,15,17)
InChIKeyMYFMNPLZEBCMAW-UHFFFAOYSA-N
XLogP3.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] benzene-1,4-dicarboxylate
CID 168866198
tert-butyl N-[4-[amino(methyl)carbamoyl]phenyl]carbamate
CID 22419684
tert-butyl N-[4-(bromomethoxy)phenyl]carbamate
CID 142798016
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[4-[carbonochloridoyl(methyl)amino]phenyl]carbamate
CID 14349632
tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
[4-[(1S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate
CID 90918476
[4-[1-[4-(2,2-dimethylpropanoyloxy)phenyl]-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-1-enyl]phenyl] 2,2-dimethylpropanoate
CID 140787869
tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate
CID 112987837
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-[4-(2-methylprop-2-enoxy)phenyl]carbamate
CID 17097680

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate (CID 135073898) is [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate?
The InChIKey is MYFMNPLZEBCMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)20-12(17)15-10-6-8-11(9-7-10)19-13(18)16(4)5/h6-9H,1-5H3,(H,15,17).
What are the key properties of [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate?
[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate has a molecular weight of 280.32 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 135073898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).