tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate

C20H26N2O3 — CID 112987837

IUPACtert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate
SMILESCC(C)Oc1ccc(Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O3/c1-14(2)24-18-12-10-16(11-13-18)21-15-6-8-17(9-7-15)22-19(23)25-20(3,4)5/h6-14,21H,1-5H3,(H,22,23)
InChIKeyQCQUVYCQFWYRGC-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.56
Rot. Bonds5

About tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate

tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate (PubChem CID 112987837) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate
PubChem CID112987837
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Nametert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate
SMILESCC(C)Oc1ccc(Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O3/c1-14(2)24-18-12-10-16(11-13-18)21-15-6-8-17(9-7-15)22-19(23)25-20(3,4)5/h6-14,21H,1-5H3,(H,22,23)
InChIKeyQCQUVYCQFWYRGC-UHFFFAOYSA-N
XLogP5.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-oxo-1-(4-propan-2-yloxyanilino)propan-2-yl]carbamate
CID 71505185
tert-butyl N-[2-(4-propan-2-yloxyanilino)ethyl]carbamate
CID 115671145
2-methyl-N-[4-(4-propan-2-yloxyanilino)phenyl]propanamide
CID 112987815
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-propan-2-yloxyphenyl)acetic acid
CID 69144874
tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate
CID 70798094
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(4-propan-2-yloxyanilino)propan-2-yl]carbamate
CID 52877966
bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] benzene-1,4-dicarboxylate
CID 168866198
tert-butyl N-[4-(bromomethoxy)phenyl]carbamate
CID 142798016
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] N,N-dimethylcarbamate
CID 135073898

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate (CID 112987837) is tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate is CC(C)Oc1ccc(Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc1.
What is the InChIKey of tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate?
The InChIKey is QCQUVYCQFWYRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(2)24-18-12-10-16(11-13-18)21-15-6-8-17(9-7-15)22-19(23)25-20(3,4)5/h6-14,21H,1-5H3,(H,22,23).
What are the key properties of tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate?
tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate has a molecular weight of 342.44 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-propan-2-yloxyanilino)phenyl]carbamate is sourced from PubChem (CID 112987837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).