benzyl (NE)-N-phenylmethoxycarbonyliminocarbamate

C16H14N2O4 — CID 5387121

IUPACbenzyl (NE)-N-phenylmethoxycarbonyliminocarbamate
SMILESO=C(/N=N/C(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H14N2O4/c19-15(21-11-13-7-3-1-4-8-13)17-18-16(20)22-12-14-9-5-2-6-10-14/h1-10H,11-12H2/b18-17+
InChIKeyIRJKSAIGIYODAN-ISLYRVAYSA-N
MW298.30 g/mol
LogP4.11
Rot. Bonds4

About benzyl (NE)-N-phenylmethoxycarbonyliminocarbamate

benzyl (NE)-N-phenylmethoxycarbonyliminocarbamate (PubChem CID 5387121) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is benzyl (NE)-N-phenylmethoxycarbonyliminocarbamate.

Molecular Properties

Compound Namebenzyl (NE)-N-phenylmethoxycarbonyliminocarbamate
PubChem CID5387121
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Namebenzyl (NE)-N-phenylmethoxycarbonyliminocarbamate
SMILESO=C(/N=N/C(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H14N2O4/c19-15(21-11-13-7-3-1-4-8-13)17-18-16(20)22-12-14-9-5-2-6-10-14/h1-10H,11-12H2/b18-17+
InChIKeyIRJKSAIGIYODAN-ISLYRVAYSA-N
XLogP4.11
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

Benzyl carbazate
CID 79242
Benzyl carbamate
CID 12136
1,2-Bis(phenylmethyl) 1,2-hydrazinedicarboxylate
CID 220554
Dibenzyl peroxydicarbonate
CID 357763
Dibenzyl carbonate
CID 77002
benzyl N-aminooxysulfonylcarbamate
CID 122187597
Benzyl (benzyloxy)carbamate
CID 13417381
Dibenzyl 1-methyl-1,2-hydrazinedicarboxylate
CID 255687
Dibenzyl Pyrocarbonate
CID 3649378
cis-1,4-Dibenzyloxy-2-butene
CID 11086763
1,2-Bis(phenylmethyl) 1,2-diazenedicarboxylate
CID 75557
Benzyl Fumarate
CID 2829312

Frequently Asked Questions

What is the IUPAC name of benzyl (NE)-N-phenylmethoxycarbonyliminocarbamate?
The IUPAC name of benzyl (NE)-N-phenylmethoxycarbonyliminocarbamate (CID 5387121) is benzyl (NE)-N-phenylmethoxycarbonyliminocarbamate.
What is the SMILES notation for benzyl (NE)-N-phenylmethoxycarbonyliminocarbamate?
The canonical SMILES for benzyl (NE)-N-phenylmethoxycarbonyliminocarbamate is O=C(/N=N/C(=O)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl (NE)-N-phenylmethoxycarbonyliminocarbamate?
The InChIKey is IRJKSAIGIYODAN-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H14N2O4/c19-15(21-11-13-7-3-1-4-8-13)17-18-16(20)22-12-14-9-5-2-6-10-14/h1-10H,11-12H2/b18-17+.
What are the key properties of benzyl (NE)-N-phenylmethoxycarbonyliminocarbamate?
benzyl (NE)-N-phenylmethoxycarbonyliminocarbamate has a molecular weight of 298.30 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (NE)-N-phenylmethoxycarbonyliminocarbamate is sourced from PubChem (CID 5387121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).