N',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide

C16H24N2O2 — CID 108951084

IUPACN',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide
SMILESCCN(CC)C(=O)CC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C16H24N2O2/c1-6-18(7-2)15(20)10-14(19)17-16-12(4)8-11(3)9-13(16)5/h8-9H,6-7,10H2,1-5H3,(H,17,19)
InChIKeyHDAKTNVUCYXWBY-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.81
Rot. Bonds5

About N',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide

N',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide (PubChem CID 108951084) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide.

Molecular Properties

Compound NameN',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide
PubChem CID108951084
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide
SMILESCCN(CC)C(=O)CC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C16H24N2O2/c1-6-18(7-2)15(20)10-14(19)17-16-12(4)8-11(3)9-13(16)5/h8-9H,6-7,10H2,1-5H3,(H,17,19)
InChIKeyHDAKTNVUCYXWBY-UHFFFAOYSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.81
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

N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 61183574
N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954456
3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid
CID 61183576
N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108951086
2-[acetyl(propyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113158011
2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 3026196
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid
CID 61006911
N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
CID 108954109
N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954449

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide?
The IUPAC name of N',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide (CID 108951084) is N',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide.
What is the SMILES notation for N',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide?
The canonical SMILES for N',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide is CCN(CC)C(=O)CC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of N',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide?
The InChIKey is HDAKTNVUCYXWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-6-18(7-2)15(20)10-14(19)17-16-12(4)8-11(3)9-13(16)5/h8-9H,6-7,10H2,1-5H3,(H,17,19).
What are the key properties of N',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide?
N',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide has a molecular weight of 276.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide is sourced from PubChem (CID 108951084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).