N,N'-bis(2,4-diethylphenyl)propanediamide

C23H30N2O2 — CID 19008540

IUPACN,N'-bis(2,4-diethylphenyl)propanediamide
SMILESCCc1ccc(NC(=O)CC(=O)Nc2ccc(CC)cc2CC)c(CC)c1
InChIInChI=1S/C23H30N2O2/c1-5-16-9-11-20(18(7-3)13-16)24-22(26)15-23(27)25-21-12-10-17(6-2)14-19(21)8-4/h9-14H,5-8,15H2,1-4H3,(H,24,26)(H,25,27)
InChIKeySYYPIJWBCCPQTR-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.90
Rot. Bonds8

About N,N'-bis(2,4-diethylphenyl)propanediamide

N,N'-bis(2,4-diethylphenyl)propanediamide (PubChem CID 19008540) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N,N'-bis(2,4-diethylphenyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(2,4-diethylphenyl)propanediamide
PubChem CID19008540
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN,N'-bis(2,4-diethylphenyl)propanediamide
SMILESCCc1ccc(NC(=O)CC(=O)Nc2ccc(CC)cc2CC)c(CC)c1
InChIInChI=1S/C23H30N2O2/c1-5-16-9-11-20(18(7-3)13-16)24-22(26)15-23(27)25-21-12-10-17(6-2)14-19(21)8-4/h9-14H,5-8,15H2,1-4H3,(H,24,26)(H,25,27)
InChIKeySYYPIJWBCCPQTR-UHFFFAOYSA-N
XLogP4.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.90
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-(2,4-diethylphenyl)-3-propylurea
CID 23348909
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(2-ethyl-4-methylphenyl)propanamide
CID 90352566
2-(4-aminophenyl)-N-(2-ethyl-4-iodophenyl)acetamide
CID 91676563
N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107033074
N-(2-ethyl-4-hydroxyphenyl)butanamide
CID 143294453
N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide
CID 108954023
3-amino-N-(2,5-diethylphenyl)butanamide
CID 119817500
2-cyano-N-(4-ethyl-2-hydroxyphenyl)acetamide
CID 168520330
N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
CID 81289356
5-ethyl-2-(3-methylbutanoylamino)benzoic acid
CID 110465723
2-(3-chloropropanoylamino)-5-ethylbenzoic acid
CID 110465745

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,4-diethylphenyl)propanediamide?
The IUPAC name of N,N'-bis(2,4-diethylphenyl)propanediamide (CID 19008540) is N,N'-bis(2,4-diethylphenyl)propanediamide.
What is the SMILES notation for N,N'-bis(2,4-diethylphenyl)propanediamide?
The canonical SMILES for N,N'-bis(2,4-diethylphenyl)propanediamide is CCc1ccc(NC(=O)CC(=O)Nc2ccc(CC)cc2CC)c(CC)c1.
What is the InChIKey of N,N'-bis(2,4-diethylphenyl)propanediamide?
The InChIKey is SYYPIJWBCCPQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-5-16-9-11-20(18(7-3)13-16)24-22(26)15-23(27)25-21-12-10-17(6-2)14-19(21)8-4/h9-14H,5-8,15H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N,N'-bis(2,4-diethylphenyl)propanediamide?
N,N'-bis(2,4-diethylphenyl)propanediamide has a molecular weight of 366.51 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,4-diethylphenyl)propanediamide is sourced from PubChem (CID 19008540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).