2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide

C18H24Cl2N2O — CID 108993859

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
SMILESO=C(CNCCC1=CCCCC1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H24Cl2N2O/c19-16-7-6-15(17(20)12-16)9-11-22-18(23)13-21-10-8-14-4-2-1-3-5-14/h4,6-7,12,21H,1-3,5,8-11,13H2,(H,22,23)
InChIKeyXNGPDBOCQDQYAY-UHFFFAOYSA-N
MW355.31 g/mol
LogP4.13
Rot. Bonds8

About 2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide

2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide (PubChem CID 108993859) has the molecular formula C18H24Cl2N2O and a molecular weight of 355.31 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
PubChem CID108993859
Molecular FormulaC18H24Cl2N2O
Molecular Weight355.31 g/mol
Exact Mass354.13
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
SMILESO=C(CNCCC1=CCCCC1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H24Cl2N2O/c19-16-7-6-15(17(20)12-16)9-11-22-18(23)13-21-10-8-14-4-2-1-3-5-14/h4,6-7,12,21H,1-3,5,8-11,13H2,(H,22,23)
InChIKeyXNGPDBOCQDQYAY-UHFFFAOYSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide
CID 112991074
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
2-[2-(2,4-dichlorophenyl)ethylamino]-N-ethylacetamide
CID 28578887
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000291
N-[2-(3-chlorophenyl)ethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
CID 109006805
N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000163
N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
CID 60672273
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108993930
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 108988105
2-(4-chloro-3-fluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 55898788
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 958817

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide (CID 108993859) is 2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide is O=C(CNCCC1=CCCCC1)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
The InChIKey is XNGPDBOCQDQYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O/c19-16-7-6-15(17(20)12-16)9-11-22-18(23)13-21-10-8-14-4-2-1-3-5-14/h4,6-7,12,21H,1-3,5,8-11,13H2,(H,22,23).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide has a molecular weight of 355.31 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide is sourced from PubChem (CID 108993859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).