2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide

C13H18Cl2N2O — CID 79809129

IUPAC2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-4-13(16,5-2)12(18)17-11-9(14)7-6-8(3)10(11)15/h6-7H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyYKCMRSPJNYSUQP-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.76
Rot. Bonds4

About 2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide

2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide (PubChem CID 79809129) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide
PubChem CID79809129
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-4-13(16,5-2)12(18)17-11-9(14)7-6-8(3)10(11)15/h6-7H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyYKCMRSPJNYSUQP-UHFFFAOYSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide?
The IUPAC name of 2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide (CID 79809129) is 2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide is CCC(N)(CC)C(=O)Nc1c(Cl)ccc(C)c1Cl.
What is the InChIKey of 2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide?
The InChIKey is YKCMRSPJNYSUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-4-13(16,5-2)12(18)17-11-9(14)7-6-8(3)10(11)15/h6-7H,4-5,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide?
2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide has a molecular weight of 289.21 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide is sourced from PubChem (CID 79809129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).