N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide

C19H30N2O2 — CID 108966271

IUPACN-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
SMILESCCc1cccc(C)c1NC(=O)C(C)(C)C(=O)NCCC(C)C
InChIInChI=1S/C19H30N2O2/c1-7-15-10-8-9-14(4)16(15)21-18(23)19(5,6)17(22)20-12-11-13(2)3/h8-10,13H,7,11-12H2,1-6H3,(H,20,22)(H,21,23)
InChIKeyHLWHOOGRQDLKOE-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.68
Rot. Bonds7

About N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide

N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide (PubChem CID 108966271) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
PubChem CID108966271
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
SMILESCCc1cccc(C)c1NC(=O)C(C)(C)C(=O)NCCC(C)C
InChIInChI=1S/C19H30N2O2/c1-7-15-10-8-9-14(4)16(15)21-18(23)19(5,6)17(22)20-12-11-13(2)3/h8-10,13H,7,11-12H2,1-6H3,(H,20,22)(H,21,23)
InChIKeyHLWHOOGRQDLKOE-UHFFFAOYSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979654
N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
CID 108965978
3-(2-ethyl-6-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82814205
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962022
N-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962937
2-(2,6-diethylanilino)-N-(3-methylbutyl)acetamide
CID 62327341
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
N-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide
CID 108966502
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108960266
methyl 3-[[3-(2-ethyl-6-methylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108968411
N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966265

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide (CID 108966271) is N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide is CCc1cccc(C)c1NC(=O)C(C)(C)C(=O)NCCC(C)C.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide?
The InChIKey is HLWHOOGRQDLKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-7-15-10-8-9-14(4)16(15)21-18(23)19(5,6)17(22)20-12-11-13(2)3/h8-10,13H,7,11-12H2,1-6H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide?
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide has a molecular weight of 318.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide is sourced from PubChem (CID 108966271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).