N'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide

C14H20N2O3 — CID 108943141

IUPACN'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide
SMILESCOCCNC(=O)CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C14H20N2O3/c1-10-6-11(2)8-12(7-10)16-14(18)9-13(17)15-4-5-19-3/h6-8H,4-5,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyRMMMINZZKZMTQS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.39
Rot. Bonds6

About N'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide

N'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide (PubChem CID 108943141) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide
PubChem CID108943141
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide
SMILESCOCCNC(=O)CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C14H20N2O3/c1-10-6-11(2)8-12(7-10)16-14(18)9-13(17)15-4-5-19-3/h6-8H,4-5,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyRMMMINZZKZMTQS-UHFFFAOYSA-N
XLogP1.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47194755
N'-(3-fluorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943203
N'-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)propanediamide
CID 108943193
N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943352
N'-(3,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
CID 2273691
1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 16909325
N'-(3,5-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948677
N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943222
N-benzyl-N'-(3,5-dimethylphenyl)propanediamide
CID 50949014
N-[4-(3,5-dimethylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119741341
3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460827
N-(2-methoxyethyl)-3-(3-methylanilino)propanamide
CID 109015044

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide?
The IUPAC name of N'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide (CID 108943141) is N'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide is COCCNC(=O)CC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide?
The InChIKey is RMMMINZZKZMTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-6-11(2)8-12(7-10)16-14(18)9-13(17)15-4-5-19-3/h6-8H,4-5,9H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide?
N'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide has a molecular weight of 264.32 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide is sourced from PubChem (CID 108943141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).