N-[2-[(2,6-dichlorophenyl)methylamino]ethyl]-2-methylpropanamide

C13H18Cl2N2O — CID 28651326

IUPACN-[2-[(2,6-dichlorophenyl)methylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNCc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-9(2)13(18)17-7-6-16-8-10-11(14)4-3-5-12(10)15/h3-5,9,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyHZSHBAFFZUYSRV-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.86
Rot. Bonds6

About N-[2-[(2,6-dichlorophenyl)methylamino]ethyl]-2-methylpropanamide

N-[2-[(2,6-dichlorophenyl)methylamino]ethyl]-2-methylpropanamide (PubChem CID 28651326) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is N-[2-[(2,6-dichlorophenyl)methylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(2,6-dichlorophenyl)methylamino]ethyl]-2-methylpropanamide
PubChem CID28651326
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC NameN-[2-[(2,6-dichlorophenyl)methylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNCc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-9(2)13(18)17-7-6-16-8-10-11(14)4-3-5-12(10)15/h3-5,9,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyHZSHBAFFZUYSRV-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]-2-methylpropanamide
CID 112606293
(2S)-4-[(2,6-dichlorophenyl)methylamino]butan-2-ol
CID 96500104
N-[2-[(2-aminophenyl)methylamino]ethyl]-2-methylpropanamide
CID 66387835
(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide
CID 66568204
2-(2,6-dichlorophenyl)-N-[2-(ethylamino)ethyl]acetamide
CID 119509040
6-[(2,6-dichlorophenyl)methylamino]-4-methylhexanoic acid
CID 65289912
(2R)-2-amino-N-[2-(2,6-dichlorophenyl)ethyl]propanamide
CID 119302301
2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294838
N-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115634738
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)ethyl]-2-methylpropanamide
CID 43583637
3-chloro-2-[[[(3R)-3-hydroxybutyl]amino]methyl]phenol
CID 96958757

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dichlorophenyl)methylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(2,6-dichlorophenyl)methylamino]ethyl]-2-methylpropanamide (CID 28651326) is N-[2-[(2,6-dichlorophenyl)methylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(2,6-dichlorophenyl)methylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(2,6-dichlorophenyl)methylamino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-[(2,6-dichlorophenyl)methylamino]ethyl]-2-methylpropanamide?
The InChIKey is HZSHBAFFZUYSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-9(2)13(18)17-7-6-16-8-10-11(14)4-3-5-12(10)15/h3-5,9,16H,6-8H2,1-2H3,(H,17,18).
What are the key properties of N-[2-[(2,6-dichlorophenyl)methylamino]ethyl]-2-methylpropanamide?
N-[2-[(2,6-dichlorophenyl)methylamino]ethyl]-2-methylpropanamide has a molecular weight of 289.21 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dichlorophenyl)methylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 28651326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).