N-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide

C19H30N2O2 — CID 108966502

IUPACN-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide
SMILESCCCCN(C)C(=O)C(C)(C)C(=O)Nc1c(C)cccc1CC
InChIInChI=1S/C19H30N2O2/c1-7-9-13-21(6)18(23)19(4,5)17(22)20-16-14(3)11-10-12-15(16)8-2/h10-12H,7-9,13H2,1-6H3,(H,20,22)
InChIKeyNRZKQMRAEBFHSN-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.78
Rot. Bonds7

About N-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide

N-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide (PubChem CID 108966502) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide.

Molecular Properties

Compound NameN-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide
PubChem CID108966502
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide
SMILESCCCCN(C)C(=O)C(C)(C)C(=O)Nc1c(C)cccc1CC
InChIInChI=1S/C19H30N2O2/c1-7-9-13-21(6)18(23)19(4,5)17(22)20-16-14(3)11-10-12-15(16)8-2/h10-12H,7-9,13H2,1-6H3,(H,20,22)
InChIKeyNRZKQMRAEBFHSN-UHFFFAOYSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethyl-6-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82814205
N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
CID 108965978
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966271
N-butyl-N'-[(2-chlorophenyl)methyl]-N,2,2-trimethylpropanediamide
CID 108962687
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962022
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108968426
N-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
CID 108966096
1-butyl-3-(2-ethyl-6-methylphenyl)urea
CID 4278345
N-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850855
methyl 3-[[3-(2-ethyl-6-methylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108968411

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide?
The IUPAC name of N-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide (CID 108966502) is N-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide.
What is the SMILES notation for N-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide?
The canonical SMILES for N-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide is CCCCN(C)C(=O)C(C)(C)C(=O)Nc1c(C)cccc1CC.
What is the InChIKey of N-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide?
The InChIKey is NRZKQMRAEBFHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-7-9-13-21(6)18(23)19(4,5)17(22)20-16-14(3)11-10-12-15(16)8-2/h10-12H,7-9,13H2,1-6H3,(H,20,22).
What are the key properties of N-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide?
N-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide has a molecular weight of 318.46 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide is sourced from PubChem (CID 108966502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).