2,2-dichloro-1-methyl-N-[2-(2-methylpropanoylamino)ethyl]cyclopropane-1-carboxamide

C11H18Cl2N2O2 — CID 43005392

IUPAC2,2-dichloro-1-methyl-N-[2-(2-methylpropanoylamino)ethyl]cyclopropane-1-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C11H18Cl2N2O2/c1-7(2)8(16)14-4-5-15-9(17)10(3)6-11(10,12)13/h7H,4-6H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyYIUHLGRWHBLTQE-UHFFFAOYSA-N
MW281.18 g/mol
LogP1.46
Rot. Bonds5

About 2,2-dichloro-1-methyl-N-[2-(2-methylpropanoylamino)ethyl]cyclopropane-1-carboxamide

2,2-dichloro-1-methyl-N-[2-(2-methylpropanoylamino)ethyl]cyclopropane-1-carboxamide (PubChem CID 43005392) has the molecular formula C11H18Cl2N2O2 and a molecular weight of 281.18 g/mol. Its IUPAC name is 2,2-dichloro-1-methyl-N-[2-(2-methylpropanoylamino)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-1-methyl-N-[2-(2-methylpropanoylamino)ethyl]cyclopropane-1-carboxamide
PubChem CID43005392
Molecular FormulaC11H18Cl2N2O2
Molecular Weight281.18 g/mol
Exact Mass280.07
IUPAC Name2,2-dichloro-1-methyl-N-[2-(2-methylpropanoylamino)ethyl]cyclopropane-1-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C11H18Cl2N2O2/c1-7(2)8(16)14-4-5-15-9(17)10(3)6-11(10,12)13/h7H,4-6H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyYIUHLGRWHBLTQE-UHFFFAOYSA-N
XLogP1.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-methyl-N-[2-(2-methylpropanoylamino)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-1-methyl-N-[2-(2-methylpropanoylamino)ethyl]cyclopropane-1-carboxamide (CID 43005392) is 2,2-dichloro-1-methyl-N-[2-(2-methylpropanoylamino)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-1-methyl-N-[2-(2-methylpropanoylamino)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-1-methyl-N-[2-(2-methylpropanoylamino)ethyl]cyclopropane-1-carboxamide is CC(C)C(=O)NCCNC(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-methyl-N-[2-(2-methylpropanoylamino)ethyl]cyclopropane-1-carboxamide?
The InChIKey is YIUHLGRWHBLTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl2N2O2/c1-7(2)8(16)14-4-5-15-9(17)10(3)6-11(10,12)13/h7H,4-6H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 2,2-dichloro-1-methyl-N-[2-(2-methylpropanoylamino)ethyl]cyclopropane-1-carboxamide?
2,2-dichloro-1-methyl-N-[2-(2-methylpropanoylamino)ethyl]cyclopropane-1-carboxamide has a molecular weight of 281.18 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-methyl-N-[2-(2-methylpropanoylamino)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 43005392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).