benzyl N-ethoxy-N-phenylcarbamate

C16H17NO3 — CID 175623586

IUPACbenzyl N-ethoxy-N-phenylcarbamate
SMILESCCON(C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO3/c1-2-20-17(15-11-7-4-8-12-15)16(18)19-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
InChIKeyKZUIOSNUAHDZOM-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.78
Rot. Bonds5

About benzyl N-ethoxy-N-phenylcarbamate

benzyl N-ethoxy-N-phenylcarbamate (PubChem CID 175623586) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is benzyl N-ethoxy-N-phenylcarbamate.

Molecular Properties

Compound Namebenzyl N-ethoxy-N-phenylcarbamate
PubChem CID175623586
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namebenzyl N-ethoxy-N-phenylcarbamate
SMILESCCON(C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO3/c1-2-20-17(15-11-7-4-8-12-15)16(18)19-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
InChIKeyKZUIOSNUAHDZOM-UHFFFAOYSA-N
XLogP3.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[phenylmethoxy(phenylmethoxycarbonyl)amino]benzoate
CID 166448168
benzyl N-(4-methylphenyl)-N-sulfinooxycarbamate
CID 57213579
benzyl N-amino-N-phenylcarbamate
CID 54267520
benzyl N,N-dimethylcarbamate
CID 12963450
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
3-oxo-N-phenyl-N-phenylmethoxybutanamide
CID 12589379
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
CID 18466015
benzyl N-ethyl-N-propylcarbamate
CID 126656974
benzyl N-cyclopropyloxy-N-methylcarbamate
CID 169312845
benzyl N-(3,4-dioxopentan-2-yl)-N-phenylcarbamate
CID 15339251
benzyl N-propanoyl-N-(propylamino)carbamate
CID 150228414

Frequently Asked Questions

What is the IUPAC name of benzyl N-ethoxy-N-phenylcarbamate?
The IUPAC name of benzyl N-ethoxy-N-phenylcarbamate (CID 175623586) is benzyl N-ethoxy-N-phenylcarbamate.
What is the SMILES notation for benzyl N-ethoxy-N-phenylcarbamate?
The canonical SMILES for benzyl N-ethoxy-N-phenylcarbamate is CCON(C(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-ethoxy-N-phenylcarbamate?
The InChIKey is KZUIOSNUAHDZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-20-17(15-11-7-4-8-12-15)16(18)19-13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3.
What are the key properties of benzyl N-ethoxy-N-phenylcarbamate?
benzyl N-ethoxy-N-phenylcarbamate has a molecular weight of 271.32 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-ethoxy-N-phenylcarbamate is sourced from PubChem (CID 175623586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).