benzyl N-phenylmethoxycarbonylcarbamate

C16H15NO4 — CID 11129847

IUPACbenzyl N-phenylmethoxycarbonylcarbamate
SMILESO=C(NC(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H15NO4/c18-15(20-11-13-7-3-1-4-8-13)17-16(19)21-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18,19)
InChIKeyAJVZWZNNWXSTNK-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.25
Rot. Bonds4

About benzyl N-phenylmethoxycarbonylcarbamate

benzyl N-phenylmethoxycarbonylcarbamate (PubChem CID 11129847) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is benzyl N-phenylmethoxycarbonylcarbamate.

Molecular Properties

Compound Namebenzyl N-phenylmethoxycarbonylcarbamate
PubChem CID11129847
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namebenzyl N-phenylmethoxycarbonylcarbamate
SMILESO=C(NC(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H15NO4/c18-15(20-11-13-7-3-1-4-8-13)17-16(19)21-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18,19)
InChIKeyAJVZWZNNWXSTNK-UHFFFAOYSA-N
XLogP3.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 18907
CID 18907
CID 12136
CID 12136
CID 220554
CID 220554
CID 562265
CID 562265
CID 5387121
CID 5387121
CID 357763
CID 357763
CID 122187597
CID 122187597
CID 13417381
CID 13417381
CID 255687
CID 255687
CID 3090849
CID 3090849
CID 3649378
CID 3649378
CID 14947136
CID 14947136

Frequently Asked Questions

What is the IUPAC name of benzyl N-phenylmethoxycarbonylcarbamate?
The IUPAC name of benzyl N-phenylmethoxycarbonylcarbamate (CID 11129847) is benzyl N-phenylmethoxycarbonylcarbamate.
What is the SMILES notation for benzyl N-phenylmethoxycarbonylcarbamate?
The canonical SMILES for benzyl N-phenylmethoxycarbonylcarbamate is O=C(NC(=O)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-phenylmethoxycarbonylcarbamate?
The InChIKey is AJVZWZNNWXSTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-15(20-11-13-7-3-1-4-8-13)17-16(19)21-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18,19).
What are the key properties of benzyl N-phenylmethoxycarbonylcarbamate?
benzyl N-phenylmethoxycarbonylcarbamate has a molecular weight of 285.30 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-phenylmethoxycarbonylcarbamate is sourced from PubChem (CID 11129847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).