2,2-dichloro-1-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopropane-1-carboxamide

C11H19Cl2NO2 — CID 58741320

IUPAC2,2-dichloro-1-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopropane-1-carboxamide
SMILESCCC1(C(=O)NC(C)COC)C(C)C1(Cl)Cl
InChIInChI=1S/C11H19Cl2NO2/c1-5-10(8(3)11(10,12)13)9(15)14-7(2)6-16-4/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyHNHIWHKXKRLSPH-UHFFFAOYSA-N
MW268.18 g/mol
LogP2.36
Rot. Bonds5

About 2,2-dichloro-1-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopropane-1-carboxamide

2,2-dichloro-1-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopropane-1-carboxamide (PubChem CID 58741320) has the molecular formula C11H19Cl2NO2 and a molecular weight of 268.18 g/mol. Its IUPAC name is 2,2-dichloro-1-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-1-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopropane-1-carboxamide
PubChem CID58741320
Molecular FormulaC11H19Cl2NO2
Molecular Weight268.18 g/mol
Exact Mass267.08
IUPAC Name2,2-dichloro-1-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopropane-1-carboxamide
SMILESCCC1(C(=O)NC(C)COC)C(C)C1(Cl)Cl
InChIInChI=1S/C11H19Cl2NO2/c1-5-10(8(3)11(10,12)13)9(15)14-7(2)6-16-4/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyHNHIWHKXKRLSPH-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-1-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopropane-1-carboxamide (CID 58741320) is 2,2-dichloro-1-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-1-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-1-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopropane-1-carboxamide is CCC1(C(=O)NC(C)COC)C(C)C1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopropane-1-carboxamide?
The InChIKey is HNHIWHKXKRLSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl2NO2/c1-5-10(8(3)11(10,12)13)9(15)14-7(2)6-16-4/h7-8H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 2,2-dichloro-1-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopropane-1-carboxamide?
2,2-dichloro-1-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopropane-1-carboxamide has a molecular weight of 268.18 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 58741320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).