3-(2,6-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide

C15H19Cl2NO2 — CID 79381969

IUPAC3-(2,6-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide
SMILESCCN(CC(C)(C)O)C(=O)C=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H19Cl2NO2/c1-4-18(10-15(2,3)20)14(19)9-8-11-12(16)6-5-7-13(11)17/h5-9,20H,4,10H2,1-3H3
InChIKeyBTFMBMWADFUMAE-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.63
Rot. Bonds5

About 3-(2,6-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide

3-(2,6-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide (PubChem CID 79381969) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide
PubChem CID79381969
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name3-(2,6-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide
SMILESCCN(CC(C)(C)O)C(=O)C=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H19Cl2NO2/c1-4-18(10-15(2,3)20)14(19)9-8-11-12(16)6-5-7-13(11)17/h5-9,20H,4,10H2,1-3H3
InChIKeyBTFMBMWADFUMAE-UHFFFAOYSA-N
XLogP3.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N-dibutyl-3-(2,6-dichlorophenyl)prop-2-enamide
CID 6076120
(E)-3-(2,6-dichlorophenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6026974
methyl 3-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-ethylamino]propanoate
CID 61011044
3-(2,6-dichlorophenyl)-N,N-dihexylprop-2-enamide
CID 4626458
3-(5-bromothiophen-2-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide
CID 79380946
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 107097824
2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79381925
3-(2,6-dichlorophenyl)-N-(2-hydroxy-2-methylpropyl)prop-2-enamide
CID 77056235
N-ethyl-N-(2-hydroxy-2-methylpropyl)hexa-2,4-dienamide
CID 79381146
2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]-ethylamino]acetic acid
CID 54901044
(E)-3-(2-chloro-6-fluorophenyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylprop-2-enamide
CID 16563281
tert-butyl (E)-4-(2,6-dichlorophenyl)-2-oxobut-3-enoate
CID 71518628

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide (CID 79381969) is 3-(2,6-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide is CCN(CC(C)(C)O)C(=O)C=Cc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide?
The InChIKey is BTFMBMWADFUMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-4-18(10-15(2,3)20)14(19)9-8-11-12(16)6-5-7-13(11)17/h5-9,20H,4,10H2,1-3H3.
What are the key properties of 3-(2,6-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide?
3-(2,6-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide has a molecular weight of 316.23 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 79381969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).