phenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate

C16H16N2O4 — CID 75384450

IUPACphenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate
SMILESCN(C(=O)Oc1ccccc1)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C16H16N2O4/c1-18(16(20)22-14-5-3-2-4-6-14)12-7-9-13(10-8-12)21-11-15(17)19/h2-10H,11H2,1H3,(H2,17,19)
InChIKeyIHWFOCIQPMFNOI-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.19
Rot. Bonds5

About phenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate

phenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate (PubChem CID 75384450) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is phenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate.

Molecular Properties

Compound Namephenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate
PubChem CID75384450
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namephenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate
SMILESCN(C(=O)Oc1ccccc1)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C16H16N2O4/c1-18(16(20)22-14-5-3-2-4-6-14)12-7-9-13(10-8-12)21-11-15(17)19/h2-10H,11H2,1H3,(H2,17,19)
InChIKeyIHWFOCIQPMFNOI-UHFFFAOYSA-N
XLogP2.19
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 163553730
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2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
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phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate?
The IUPAC name of phenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate (CID 75384450) is phenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate.
What is the SMILES notation for phenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate?
The canonical SMILES for phenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate is CN(C(=O)Oc1ccccc1)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of phenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate?
The InChIKey is IHWFOCIQPMFNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-18(16(20)22-14-5-3-2-4-6-14)12-7-9-13(10-8-12)21-11-15(17)19/h2-10H,11H2,1H3,(H2,17,19).
What are the key properties of phenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate?
phenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate has a molecular weight of 300.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(2-amino-2-oxoethoxy)phenyl]-N-methylcarbamate is sourced from PubChem (CID 75384450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).