phenyl N-[2-(dimethylamino)-2-oxoethyl]-N-methylcarbamate

C12H16N2O3 — CID 60669058

IUPACphenyl N-[2-(dimethylamino)-2-oxoethyl]-N-methylcarbamate
SMILESCN(C)C(=O)CN(C)C(=O)Oc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-13(2)11(15)9-14(3)12(16)17-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyZGDZEWWFHZZAEB-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.21
Rot. Bonds3

About phenyl N-[2-(dimethylamino)-2-oxoethyl]-N-methylcarbamate

phenyl N-[2-(dimethylamino)-2-oxoethyl]-N-methylcarbamate (PubChem CID 60669058) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is phenyl N-[2-(dimethylamino)-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

Compound Namephenyl N-[2-(dimethylamino)-2-oxoethyl]-N-methylcarbamate
PubChem CID60669058
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namephenyl N-[2-(dimethylamino)-2-oxoethyl]-N-methylcarbamate
SMILESCN(C)C(=O)CN(C)C(=O)Oc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-13(2)11(15)9-14(3)12(16)17-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyZGDZEWWFHZZAEB-UHFFFAOYSA-N
XLogP1.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(dimethylamino)-2-oxoethyl]-N-methylcarbamate?
The IUPAC name of phenyl N-[2-(dimethylamino)-2-oxoethyl]-N-methylcarbamate (CID 60669058) is phenyl N-[2-(dimethylamino)-2-oxoethyl]-N-methylcarbamate.
What is the SMILES notation for phenyl N-[2-(dimethylamino)-2-oxoethyl]-N-methylcarbamate?
The canonical SMILES for phenyl N-[2-(dimethylamino)-2-oxoethyl]-N-methylcarbamate is CN(C)C(=O)CN(C)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(dimethylamino)-2-oxoethyl]-N-methylcarbamate?
The InChIKey is ZGDZEWWFHZZAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-13(2)11(15)9-14(3)12(16)17-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of phenyl N-[2-(dimethylamino)-2-oxoethyl]-N-methylcarbamate?
phenyl N-[2-(dimethylamino)-2-oxoethyl]-N-methylcarbamate has a molecular weight of 236.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(dimethylamino)-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 60669058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).