benzyl N-(N-phenylanilino)carbamate

C20H18N2O2 — CID 71360694

IUPACbenzyl N-(N-phenylanilino)carbamate
SMILESO=C(NN(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H18N2O2/c23-20(24-16-17-10-4-1-5-11-17)21-22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,21,23)
InChIKeyVJBKDXVFRGAVTA-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.67
Rot. Bonds5

About benzyl N-(N-phenylanilino)carbamate

benzyl N-(N-phenylanilino)carbamate (PubChem CID 71360694) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is benzyl N-(N-phenylanilino)carbamate.

Molecular Properties

Compound Namebenzyl N-(N-phenylanilino)carbamate
PubChem CID71360694
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Namebenzyl N-(N-phenylanilino)carbamate
SMILESO=C(NN(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H18N2O2/c23-20(24-16-17-10-4-1-5-11-17)21-22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,21,23)
InChIKeyVJBKDXVFRGAVTA-UHFFFAOYSA-N
XLogP4.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate
CID 126005193
benzyl (2S)-5-(2,2-diphenylhydrazinyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
CID 126007491
benzyl N-[methyl(propyl)amino]carbamate
CID 138546931
benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-chlorocarbamate
CID 2755304
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(3-aminopropanoyl)carbamate
CID 54479844
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[2-(2-benzyl-2-phenylhydrazinyl)-2-oxoethyl]carbamate
CID 60596176
benzyl N-(methylamino)carbamate;hydrochloride
CID 24801390

Frequently Asked Questions

What is the IUPAC name of benzyl N-(N-phenylanilino)carbamate?
The IUPAC name of benzyl N-(N-phenylanilino)carbamate (CID 71360694) is benzyl N-(N-phenylanilino)carbamate.
What is the SMILES notation for benzyl N-(N-phenylanilino)carbamate?
The canonical SMILES for benzyl N-(N-phenylanilino)carbamate is O=C(NN(c1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-(N-phenylanilino)carbamate?
The InChIKey is VJBKDXVFRGAVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-20(24-16-17-10-4-1-5-11-17)21-22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,21,23).
What are the key properties of benzyl N-(N-phenylanilino)carbamate?
benzyl N-(N-phenylanilino)carbamate has a molecular weight of 318.38 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(N-phenylanilino)carbamate is sourced from PubChem (CID 71360694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).