N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide

C17H26N2O2 — CID 108951086

IUPACN',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide
SMILESCCN(CC)C(=O)CC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C17H26N2O2/c1-6-19(7-2)16(21)11-15(20)18-17-13(5)9-8-10-14(17)12(3)4/h8-10,12H,6-7,11H2,1-5H3,(H,18,20)
InChIKeyCGQLBNXYMZJSDZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.32
Rot. Bonds6

About N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide

N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide (PubChem CID 108951086) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide
PubChem CID108951086
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide
SMILESCCN(CC)C(=O)CC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C17H26N2O2/c1-6-19(7-2)16(21)11-15(20)18-17-13(5)9-8-10-14(17)12(3)4/h8-10,12H,6-7,11H2,1-5H3,(H,18,20)
InChIKeyCGQLBNXYMZJSDZ-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.32
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

2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide
CID 108953169
3-amino-N-(2-methyl-6-propan-2-ylphenyl)-3-sulfanylidenepropanamide
CID 28942450
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
ethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate
CID 8905335
N-(2-methyl-6-propan-2-ylphenyl)decanamide
CID 3411920
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 60648439
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
1-N',1-N'-diethyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979075
4-N,4-N-diethyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149435
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The IUPAC name of N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide (CID 108951086) is N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide is CCN(CC)C(=O)CC(=O)Nc1c(C)cccc1C(C)C.
What is the InChIKey of N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The InChIKey is CGQLBNXYMZJSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-19(7-2)16(21)11-15(20)18-17-13(5)9-8-10-14(17)12(3)4/h8-10,12H,6-7,11H2,1-5H3,(H,18,20).
What are the key properties of N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide?
N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide has a molecular weight of 290.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108951086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).