tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate

C19H22N2O3 — CID 9041136

IUPACtert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-19(2,3)24-18(23)21-16-11-9-15(10-12-16)17(22)20-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyRDSMEPIAKSIMGH-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.96
Rot. Bonds4

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

tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate (PubChem CID 9041136) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
PubChem CID9041136
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Nametert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-19(2,3)24-18(23)21-16-11-9-15(10-12-16)17(22)20-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyRDSMEPIAKSIMGH-UHFFFAOYSA-N
XLogP3.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106
benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate
CID 68540844
tert-butyl N-[4-(benzylcarbamoyl)-3-hydroxyphenyl]carbamate
CID 11566333
tert-butyl N-[4-[[(3-bromobenzoyl)amino]methyl]phenyl]carbamate
CID 141021076
tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate
CID 27758271
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
tert-butyl N-[4-[2-[(4-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl]carbamate
CID 55736690
tert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate
CID 108917509
tert-butyl N-[2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930614
benzyl N-[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]phenyl]carbamate
CID 138515500
tert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate
CID 9185284
tert-butyl N-[[4-[(4-iodophenyl)carbamoyl]phenyl]methyl]carbamate
CID 46525552

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate (CID 9041136) is tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate?
The InChIKey is RDSMEPIAKSIMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(2,3)24-18(23)21-16-11-9-15(10-12-16)17(22)20-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate?
tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate has a molecular weight of 326.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 9041136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).