N-tert-butyl-N-(2,2-dichloroethenyl)-2-oxo-1,3-diazinane-1-carboxamide

C11H17Cl2N3O2 — CID 608709

IUPACN-tert-butyl-N-(2,2-dichloroethenyl)-2-oxo-1,3-diazinane-1-carboxamide
SMILESCC(C)(C)N(C=C(Cl)Cl)C(=O)N1CCCNC1=O
InChIInChI=1S/C11H17Cl2N3O2/c1-11(2,3)16(7-8(12)13)10(18)15-6-4-5-14-9(15)17/h7H,4-6H2,1-3H3,(H,14,17)
InChIKeyKGDKJTYXMHDZAR-UHFFFAOYSA-N
MW294.18 g/mol
LogP2.90
Rot. Bonds1

About N-tert-butyl-N-(2,2-dichloroethenyl)-2-oxo-1,3-diazinane-1-carboxamide

N-tert-butyl-N-(2,2-dichloroethenyl)-2-oxo-1,3-diazinane-1-carboxamide (PubChem CID 608709) has the molecular formula C11H17Cl2N3O2 and a molecular weight of 294.18 g/mol. Its IUPAC name is N-tert-butyl-N-(2,2-dichloroethenyl)-2-oxo-1,3-diazinane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-(2,2-dichloroethenyl)-2-oxo-1,3-diazinane-1-carboxamide
PubChem CID608709
Molecular FormulaC11H17Cl2N3O2
Molecular Weight294.18 g/mol
Exact Mass293.07
IUPAC NameN-tert-butyl-N-(2,2-dichloroethenyl)-2-oxo-1,3-diazinane-1-carboxamide
SMILESCC(C)(C)N(C=C(Cl)Cl)C(=O)N1CCCNC1=O
InChIInChI=1S/C11H17Cl2N3O2/c1-11(2,3)16(7-8(12)13)10(18)15-6-4-5-14-9(15)17/h7H,4-6H2,1-3H3,(H,14,17)
InChIKeyKGDKJTYXMHDZAR-UHFFFAOYSA-N
XLogP2.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(2,2-dichloroethenyl)-2-oxo-1,3-diazinane-1-carboxamide?
The IUPAC name of N-tert-butyl-N-(2,2-dichloroethenyl)-2-oxo-1,3-diazinane-1-carboxamide (CID 608709) is N-tert-butyl-N-(2,2-dichloroethenyl)-2-oxo-1,3-diazinane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-N-(2,2-dichloroethenyl)-2-oxo-1,3-diazinane-1-carboxamide?
The canonical SMILES for N-tert-butyl-N-(2,2-dichloroethenyl)-2-oxo-1,3-diazinane-1-carboxamide is CC(C)(C)N(C=C(Cl)Cl)C(=O)N1CCCNC1=O.
What is the InChIKey of N-tert-butyl-N-(2,2-dichloroethenyl)-2-oxo-1,3-diazinane-1-carboxamide?
The InChIKey is KGDKJTYXMHDZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N3O2/c1-11(2,3)16(7-8(12)13)10(18)15-6-4-5-14-9(15)17/h7H,4-6H2,1-3H3,(H,14,17).
What are the key properties of N-tert-butyl-N-(2,2-dichloroethenyl)-2-oxo-1,3-diazinane-1-carboxamide?
N-tert-butyl-N-(2,2-dichloroethenyl)-2-oxo-1,3-diazinane-1-carboxamide has a molecular weight of 294.18 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(2,2-dichloroethenyl)-2-oxo-1,3-diazinane-1-carboxamide is sourced from PubChem (CID 608709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).