N-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide

C20H30N2O3 — CID 108960084

IUPACN-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide
SMILESCCc1cccc(CC)c1NC(=O)C(C)(C)C(=O)NCC1CCCO1
InChIInChI=1S/C20H30N2O3/c1-5-14-9-7-10-15(6-2)17(14)22-19(24)20(3,4)18(23)21-13-16-11-8-12-25-16/h7,9-10,16H,5-6,8,11-13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyWJTQWKWVHQFTQW-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.07
Rot. Bonds7

About N-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide

N-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide (PubChem CID 108960084) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide
PubChem CID108960084
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide
SMILESCCc1cccc(CC)c1NC(=O)C(C)(C)C(=O)NCC1CCCO1
InChIInChI=1S/C20H30N2O3/c1-5-14-9-7-10-15(6-2)17(14)22-19(24)20(3,4)18(23)21-13-16-11-8-12-25-16/h7,9-10,16H,5-6,8,11-13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyWJTQWKWVHQFTQW-UHFFFAOYSA-N
XLogP3.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045638
3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053055
2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108960081
2,2-dimethyl-N-(2-morpholin-4-ylphenyl)-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960131
methyl 4-[[2,2-dimethyl-3-oxo-3-(oxolan-2-ylmethylamino)propanoyl]amino]benzoate
CID 108960123
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide
CID 108960126
N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016078
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
4-N-(2,6-diethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083329
2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide
CID 108960054
N-(2-ethyl-6-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815604
2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 82108842

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide?
The IUPAC name of N-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide (CID 108960084) is N-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide is CCc1cccc(CC)c1NC(=O)C(C)(C)C(=O)NCC1CCCO1.
What is the InChIKey of N-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide?
The InChIKey is WJTQWKWVHQFTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-5-14-9-7-10-15(6-2)17(14)22-19(24)20(3,4)18(23)21-13-16-11-8-12-25-16/h7,9-10,16H,5-6,8,11-13H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide?
N-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide has a molecular weight of 346.47 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2,2-dimethyl-N'-(oxolan-2-ylmethyl)propanediamide is sourced from PubChem (CID 108960084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).