2-ethyl-2-(2-ethyl-4-methylphenyl)propanediamide

C14H20N2O2 — CID 175198637

IUPAC2-ethyl-2-(2-ethyl-4-methylphenyl)propanediamide
SMILESCCc1cc(C)ccc1C(CC)(C(N)=O)C(N)=O
InChIInChI=1S/C14H20N2O2/c1-4-10-8-9(3)6-7-11(10)14(5-2,12(15)17)13(16)18/h6-8H,4-5H2,1-3H3,(H2,15,17)(H2,16,18)
InChIKeyQXPNSJLOEQLBSS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.18
Rot. Bonds5

About 2-ethyl-2-(2-ethyl-4-methylphenyl)propanediamide

2-ethyl-2-(2-ethyl-4-methylphenyl)propanediamide (PubChem CID 175198637) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-ethyl-2-(2-ethyl-4-methylphenyl)propanediamide.

Molecular Properties

Compound Name2-ethyl-2-(2-ethyl-4-methylphenyl)propanediamide
PubChem CID175198637
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-ethyl-2-(2-ethyl-4-methylphenyl)propanediamide
SMILESCCc1cc(C)ccc1C(CC)(C(N)=O)C(N)=O
InChIInChI=1S/C14H20N2O2/c1-4-10-8-9(3)6-7-11(10)14(5-2,12(15)17)13(16)18/h6-8H,4-5H2,1-3H3,(H2,15,17)(H2,16,18)
InChIKeyQXPNSJLOEQLBSS-UHFFFAOYSA-N
XLogP1.18
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.18
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

2-ethyl-4-methyl-1-(trifluoromethyl)benzene
CID 89088576
1,2-diethyl-4-methylbenzene;methane
CID 174446118
1-[2-(1,1-difluoroethyl)-5-methylphenyl]propan-2-one
CID 84679044
2-ethyl-4-methylbenzoic acid
CID 19886963
2-ethyl-N',4-dimethylbenzenecarboximidamide
CID 145002084
3-(2,4-dimethylphenyl)-3-(ethylamino)butanamide
CID 65234113
N-(2-ethyl-4-methylphenyl)acetamide
CID 89198969
2-(2-bromo-5-methylphenyl)acetamide
CID 71440517
2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride
CID 167684728
2-(2-ethyl-4-methylphenyl)acetaldehyde
CID 88578467
2-bromo-2-chloro-N-(2-ethyl-4-methylphenyl)butanamide
CID 20511655
(2S)-2-amino-3-[5-methyl-2-(trifluoromethyl)phenyl]propanoic acid
CID 93478155

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-ethyl-4-methylphenyl)propanediamide?
The IUPAC name of 2-ethyl-2-(2-ethyl-4-methylphenyl)propanediamide (CID 175198637) is 2-ethyl-2-(2-ethyl-4-methylphenyl)propanediamide.
What is the SMILES notation for 2-ethyl-2-(2-ethyl-4-methylphenyl)propanediamide?
The canonical SMILES for 2-ethyl-2-(2-ethyl-4-methylphenyl)propanediamide is CCc1cc(C)ccc1C(CC)(C(N)=O)C(N)=O.
What is the InChIKey of 2-ethyl-2-(2-ethyl-4-methylphenyl)propanediamide?
The InChIKey is QXPNSJLOEQLBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-10-8-9(3)6-7-11(10)14(5-2,12(15)17)13(16)18/h6-8H,4-5H2,1-3H3,(H2,15,17)(H2,16,18).
What are the key properties of 2-ethyl-2-(2-ethyl-4-methylphenyl)propanediamide?
2-ethyl-2-(2-ethyl-4-methylphenyl)propanediamide has a molecular weight of 248.33 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-ethyl-4-methylphenyl)propanediamide is sourced from PubChem (CID 175198637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).