tert-butyl N-[4-(benzylcarbamoyl)-3-hydroxyphenyl]carbamate

C19H22N2O4 — CID 11566333

IUPACtert-butyl N-[4-(benzylcarbamoyl)-3-hydroxyphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccccc2)c(O)c1
InChIInChI=1S/C19H22N2O4/c1-19(2,3)25-18(24)21-14-9-10-15(16(22)11-14)17(23)20-12-13-7-5-4-6-8-13/h4-11,22H,12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyXQEHGXGRVRHDRQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.67
Rot. Bonds4

About tert-butyl N-[4-(benzylcarbamoyl)-3-hydroxyphenyl]carbamate

tert-butyl N-[4-(benzylcarbamoyl)-3-hydroxyphenyl]carbamate (PubChem CID 11566333) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is tert-butyl N-[4-(benzylcarbamoyl)-3-hydroxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(benzylcarbamoyl)-3-hydroxyphenyl]carbamate
PubChem CID11566333
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Nametert-butyl N-[4-(benzylcarbamoyl)-3-hydroxyphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccccc2)c(O)c1
InChIInChI=1S/C19H22N2O4/c1-19(2,3)25-18(24)21-14-9-10-15(16(22)11-14)17(23)20-12-13-7-5-4-6-8-13/h4-11,22H,12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyXQEHGXGRVRHDRQ-UHFFFAOYSA-N
XLogP3.67
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 9041136
tert-butyl N-[4-hydroxy-3-(2-phenylethylcarbamoyl)phenyl]carbamate
CID 10665956
benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate
CID 68540844
tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate
CID 7669388
tert-butyl N-[4-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]phenyl]carbamate
CID 78847906
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 10377562
tert-butyl N-[4-[[(3-bromobenzoyl)amino]methyl]phenyl]carbamate
CID 141021076
methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106
tert-butyl N-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]carbamate
CID 9209931
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(benzylcarbamoyl)-3-hydroxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(benzylcarbamoyl)-3-hydroxyphenyl]carbamate (CID 11566333) is tert-butyl N-[4-(benzylcarbamoyl)-3-hydroxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(benzylcarbamoyl)-3-hydroxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(benzylcarbamoyl)-3-hydroxyphenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccccc2)c(O)c1.
What is the InChIKey of tert-butyl N-[4-(benzylcarbamoyl)-3-hydroxyphenyl]carbamate?
The InChIKey is XQEHGXGRVRHDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-19(2,3)25-18(24)21-14-9-10-15(16(22)11-14)17(23)20-12-13-7-5-4-6-8-13/h4-11,22H,12H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of tert-butyl N-[4-(benzylcarbamoyl)-3-hydroxyphenyl]carbamate?
tert-butyl N-[4-(benzylcarbamoyl)-3-hydroxyphenyl]carbamate has a molecular weight of 342.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(benzylcarbamoyl)-3-hydroxyphenyl]carbamate is sourced from PubChem (CID 11566333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).