[3-(dimethylcarbamoylamino)phenyl] N,N-dimethylcarbamate

C12H17N3O3 — CID 883449

IUPAC[3-(dimethylcarbamoylamino)phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Nc1cccc(OC(=O)N(C)C)c1
InChIInChI=1S/C12H17N3O3/c1-14(2)11(16)13-9-6-5-7-10(8-9)18-12(17)15(3)4/h5-8H,1-4H3,(H,13,16)
InChIKeyOVKYUFXUYVJDDU-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.84
Rot. Bonds2

About [3-(dimethylcarbamoylamino)phenyl] N,N-dimethylcarbamate

[3-(dimethylcarbamoylamino)phenyl] N,N-dimethylcarbamate (PubChem CID 883449) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is [3-(dimethylcarbamoylamino)phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-(dimethylcarbamoylamino)phenyl] N,N-dimethylcarbamate
PubChem CID883449
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name[3-(dimethylcarbamoylamino)phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Nc1cccc(OC(=O)N(C)C)c1
InChIInChI=1S/C12H17N3O3/c1-14(2)11(16)13-9-6-5-7-10(8-9)18-12(17)15(3)4/h5-8H,1-4H3,(H,13,16)
InChIKeyOVKYUFXUYVJDDU-UHFFFAOYSA-N
XLogP1.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylcarbamoylamino)phenyl] N,N-dimethylcarbamate?
The IUPAC name of [3-(dimethylcarbamoylamino)phenyl] N,N-dimethylcarbamate (CID 883449) is [3-(dimethylcarbamoylamino)phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-(dimethylcarbamoylamino)phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-(dimethylcarbamoylamino)phenyl] N,N-dimethylcarbamate is CN(C)C(=O)Nc1cccc(OC(=O)N(C)C)c1.
What is the InChIKey of [3-(dimethylcarbamoylamino)phenyl] N,N-dimethylcarbamate?
The InChIKey is OVKYUFXUYVJDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-14(2)11(16)13-9-6-5-7-10(8-9)18-12(17)15(3)4/h5-8H,1-4H3,(H,13,16).
What are the key properties of [3-(dimethylcarbamoylamino)phenyl] N,N-dimethylcarbamate?
[3-(dimethylcarbamoylamino)phenyl] N,N-dimethylcarbamate has a molecular weight of 251.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylcarbamoylamino)phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 883449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).