tert-butyl N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-N-ethylcarbamate

C16H24ClN3O3 — CID 51135946

IUPACtert-butyl N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-N-ethylcarbamate
SMILESCCN(CCNC(=O)Nc1ccc(Cl)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H24ClN3O3/c1-5-20(15(22)23-16(2,3)4)11-10-18-14(21)19-13-8-6-12(17)7-9-13/h6-9H,5,10-11H2,1-4H3,(H2,18,19,21)
InChIKeyVTBPIRPPLINWRS-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.72
Rot. Bonds5

About tert-butyl N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-N-ethylcarbamate

tert-butyl N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-N-ethylcarbamate (PubChem CID 51135946) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-N-ethylcarbamate
PubChem CID51135946
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Nametert-butyl N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-N-ethylcarbamate
SMILESCCN(CCNC(=O)Nc1ccc(Cl)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H24ClN3O3/c1-5-20(15(22)23-16(2,3)4)11-10-18-14(21)19-13-8-6-12(17)7-9-13/h6-9H,5,10-11H2,1-4H3,(H2,18,19,21)
InChIKeyVTBPIRPPLINWRS-UHFFFAOYSA-N
XLogP3.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-N-ethylcarbamate (CID 51135946) is tert-butyl N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-N-ethylcarbamate is CCN(CCNC(=O)Nc1ccc(Cl)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-N-ethylcarbamate?
The InChIKey is VTBPIRPPLINWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3/c1-5-20(15(22)23-16(2,3)4)11-10-18-14(21)19-13-8-6-12(17)7-9-13/h6-9H,5,10-11H2,1-4H3,(H2,18,19,21).
What are the key properties of tert-butyl N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-N-ethylcarbamate?
tert-butyl N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-N-ethylcarbamate has a molecular weight of 341.84 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-N-ethylcarbamate is sourced from PubChem (CID 51135946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).