tert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate

C16H23N3O4 — CID 69441199

IUPACtert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate
SMILESCN(C)C(=O)N(C(=O)CNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H23N3O4/c1-16(2,3)23-14(21)17-11-13(20)19(15(22)18(4)5)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,17,21)
InChIKeyCOAFNKWSSHRGFS-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.23
Rot. Bonds3

About tert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate

tert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate (PubChem CID 69441199) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is tert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate
PubChem CID69441199
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Nametert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate
SMILESCN(C)C(=O)N(C(=O)CNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H23N3O4/c1-16(2,3)23-14(21)17-11-13(20)19(15(22)18(4)5)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,17,21)
InChIKeyCOAFNKWSSHRGFS-UHFFFAOYSA-N
XLogP2.23
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate (CID 69441199) is tert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate is CN(C)C(=O)N(C(=O)CNC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate?
The InChIKey is COAFNKWSSHRGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-16(2,3)23-14(21)17-11-13(20)19(15(22)18(4)5)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,17,21).
What are the key properties of tert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate has a molecular weight of 321.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate is sourced from PubChem (CID 69441199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).