tert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate

C19H22N2O3 — CID 46612138

IUPACtert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate
SMILESCN(C(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-19(2,3)24-18(23)20-15-10-8-9-14(13-15)17(22)21(4)16-11-6-5-7-12-16/h5-13H,1-4H3,(H,20,23)
InChIKeyNLTOWNDYKALSHF-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.31
Rot. Bonds3

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

tert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate (PubChem CID 46612138) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is tert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate
PubChem CID46612138
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Nametert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate
SMILESCN(C(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-19(2,3)24-18(23)20-15-10-8-9-14(13-15)17(22)21(4)16-11-6-5-7-12-16/h5-13H,1-4H3,(H,20,23)
InChIKeyNLTOWNDYKALSHF-UHFFFAOYSA-N
XLogP4.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8520999
benzyl N-[3-[methyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]phenyl]carbamate
CID 138515356
tert-butyl N-[3-[1-(3-benzamidophenyl)ethyl-methylcarbamoyl]phenyl]carbamate
CID 46533494
3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 6951350
[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506
methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17227914
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
tert-butyl N-[3-[methoxy(methyl)carbamoyl]phenyl]carbamate;3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid;oxolane
CID 157123919
benzyl N-[3-(methylamino)phenyl]carbamate;benzyl N-[3-[methyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]phenyl]carbamate;4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 160548056
3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide
CID 17227739
3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757
3-[(4-methoxybenzoyl)amino]-N-methyl-N-phenylbenzamide
CID 17227750

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate (CID 46612138) is tert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate is CN(C(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1.
What is the InChIKey of tert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate?
The InChIKey is NLTOWNDYKALSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(2,3)24-18(23)20-15-10-8-9-14(13-15)17(22)21(4)16-11-6-5-7-12-16/h5-13H,1-4H3,(H,20,23).
What are the key properties of tert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate?
tert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate has a molecular weight of 326.40 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 46612138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).