N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide

C20H24N2O2 — CID 4524701

IUPACN'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)NCCc2ccccc2)c(C)c1
InChIInChI=1S/C20H24N2O2/c1-15-8-9-18(16(2)14-15)22-20(24)11-10-19(23)21-13-12-17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFBFKKILFTRNZKI-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.38
Rot. Bonds7

About N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide

N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide (PubChem CID 4524701) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide.

Molecular Properties

Compound NameN'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide
PubChem CID4524701
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)NCCc2ccccc2)c(C)c1
InChIInChI=1S/C20H24N2O2/c1-15-8-9-18(16(2)14-15)22-20(24)11-10-19(23)21-13-12-17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFBFKKILFTRNZKI-UHFFFAOYSA-N
XLogP3.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenyl)-N-(2-phenylethyl)acetamide
CID 100770824
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 16910175
3-(4-bromo-2-methylanilino)-N-(2-phenylethyl)propanamide
CID 109024204
1-(2,4-dimethylphenyl)-3-(3-phenylpropanoylamino)thiourea
CID 17371958
5-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
CID 7183450
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
N-(2-bromo-4-methylphenyl)-3-phenylpropanamide
CID 730069
3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide
CID 43011240
2-[acetyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 113164038
2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 113165855
N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965816

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide?
The IUPAC name of N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide (CID 4524701) is N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide.
What is the SMILES notation for N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide?
The canonical SMILES for N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide is Cc1ccc(NC(=O)CCC(=O)NCCc2ccccc2)c(C)c1.
What is the InChIKey of N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide?
The InChIKey is FBFKKILFTRNZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-8-9-18(16(2)14-15)22-20(24)11-10-19(23)21-13-12-17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide?
N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide has a molecular weight of 324.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide is sourced from PubChem (CID 4524701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).