N-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide

C20H24N2O2 — CID 108953668

IUPACN-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
SMILESCCN(C(=O)CC(=O)Nc1ccc(C)c(C)c1)c1cccc(C)c1
InChIInChI=1S/C20H24N2O2/c1-5-22(18-8-6-7-14(2)11-18)20(24)13-19(23)21-17-10-9-15(3)16(4)12-17/h6-12H,5,13H2,1-4H3,(H,21,23)
InChIKeyMKLNLEFPFSWLIK-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.99
Rot. Bonds5

About N-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide

N-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide (PubChem CID 108953668) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
PubChem CID108953668
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
SMILESCCN(C(=O)CC(=O)Nc1ccc(C)c(C)c1)c1cccc(C)c1
InChIInChI=1S/C20H24N2O2/c1-5-22(18-8-6-7-14(2)11-18)20(24)13-19(23)21-17-10-9-15(3)16(4)12-17/h6-12H,5,13H2,1-4H3,(H,21,23)
InChIKeyMKLNLEFPFSWLIK-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.99
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-(3,4-dimethoxyphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108956025
N-(2,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108953533
2-N-(3,4-dimethylphenyl)-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141736
N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide
CID 108940770
N'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide
CID 108954333
N-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
CID 108953543
N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108941153
N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108942305
2-(3-acetamidoanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 109009943
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108992795
2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175802

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide (CID 108953668) is N-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide is CCN(C(=O)CC(=O)Nc1ccc(C)c(C)c1)c1cccc(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide?
The InChIKey is MKLNLEFPFSWLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-5-22(18-8-6-7-14(2)11-18)20(24)13-19(23)21-17-10-9-15(3)16(4)12-17/h6-12H,5,13H2,1-4H3,(H,21,23).
What are the key properties of N-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide?
N-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide has a molecular weight of 324.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide is sourced from PubChem (CID 108953668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).