N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide

C20H24N2O2 — CID 108947341

IUPACN'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C20H24N2O2/c1-4-22(14-17-8-6-5-7-9-17)20(24)13-19(23)21-18-11-15(2)10-16(3)12-18/h5-12H,4,13-14H2,1-3H3,(H,21,23)
InChIKeyBFDUOHOZNUMVSC-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.68
Rot. Bonds6

About N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide

N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide (PubChem CID 108947341) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide.

Molecular Properties

Compound NameN'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide
PubChem CID108947341
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C20H24N2O2/c1-4-22(14-17-8-6-5-7-9-17)20(24)13-19(23)21-18-11-15(2)10-16(3)12-18/h5-12H,4,13-14H2,1-3H3,(H,21,23)
InChIKeyBFDUOHOZNUMVSC-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.68
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'-benzyl-N-(2-bromo-4-methylphenyl)-N'-ethylpropanediamide
CID 108947405
N'-benzyl-N-(3,5-dimethylphenyl)-N'-phenylpropanediamide
CID 108953721
N'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide
CID 108947354
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
methyl 3-[[3-[benzyl(ethyl)amino]-3-oxopropanoyl]amino]benzoate
CID 108947389
N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide
CID 108940808
N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108947396
2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 39076015
N-benzyl-N-ethyl-3-(3-methylanilino)propanamide
CID 109022921
N-benzyl-N'-(3,5-dimethylphenyl)propanediamide
CID 50949014
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide
CID 108947379

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide?
The IUPAC name of N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide (CID 108947341) is N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide.
What is the SMILES notation for N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide?
The canonical SMILES for N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide is CCN(Cc1ccccc1)C(=O)CC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide?
The InChIKey is BFDUOHOZNUMVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-22(14-17-8-6-5-7-9-17)20(24)13-19(23)21-18-11-15(2)10-16(3)12-18/h5-12H,4,13-14H2,1-3H3,(H,21,23).
What are the key properties of N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide?
N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide has a molecular weight of 324.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide is sourced from PubChem (CID 108947341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).