benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate

C19H22N2O4 — CID 173301676

IUPACbenzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(NC(=O)OCc2ccccc2)c1
InChIInChI=1S/C19H22N2O4/c1-19(2,3)25-18(23)21-16-11-7-10-15(12-16)20-17(22)24-13-14-8-5-4-6-9-14/h4-12H,13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyORQOESZMKGRUBH-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.78
Rot. Bonds4

About benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate

benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate (PubChem CID 173301676) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
PubChem CID173301676
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namebenzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(NC(=O)OCc2ccccc2)c1
InChIInChI=1S/C19H22N2O4/c1-19(2,3)25-18(23)21-16-11-7-10-15(12-16)20-17(22)24-13-14-8-5-4-6-9-14/h4-12H,13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyORQOESZMKGRUBH-UHFFFAOYSA-N
XLogP4.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]phenyl]carbamate
CID 138515500
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)benzoic acid
CID 23290973
tert-butyl N-[3-(carbamoyloxymethyl)phenyl]carbamate
CID 174964106
benzyl N-[3-[methyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]phenyl]carbamate
CID 138515356
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
benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate
CID 68540844
benzyl 3-methyl-2-[methyl-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]amino]butanoate
CID 123212209
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
methyl (2S)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]propanoate
CID 67381463
(2S)-2-[[(2S)-2-[[(2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4,4-dimethylpentanoyl]amino]-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid
CID 68910910
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-oxobutyl)phenyl]carbamate
CID 23291005
tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
CID 107239782

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate?
The IUPAC name of benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate (CID 173301676) is benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate.
What is the SMILES notation for benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate?
The canonical SMILES for benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(NC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate?
The InChIKey is ORQOESZMKGRUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-19(2,3)25-18(23)21-16-11-7-10-15(12-16)20-17(22)24-13-14-8-5-4-6-9-14/h4-12H,13H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate?
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate has a molecular weight of 342.40 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate is sourced from PubChem (CID 173301676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).