N'-(2,4-dimethylphenyl)-N-pentylpropanediamide

C16H24N2O2 — CID 108951896

IUPACN'-(2,4-dimethylphenyl)-N-pentylpropanediamide
SMILESCCCCCNC(=O)CC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C16H24N2O2/c1-4-5-6-9-17-15(19)11-16(20)18-14-8-7-12(2)10-13(14)3/h7-8,10H,4-6,9,11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyUABLUWSNWHOBGJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.94
Rot. Bonds7

About N'-(2,4-dimethylphenyl)-N-pentylpropanediamide

N'-(2,4-dimethylphenyl)-N-pentylpropanediamide (PubChem CID 108951896) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-(2,4-dimethylphenyl)-N-pentylpropanediamide.

Molecular Properties

Compound NameN'-(2,4-dimethylphenyl)-N-pentylpropanediamide
PubChem CID108951896
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN'-(2,4-dimethylphenyl)-N-pentylpropanediamide
SMILESCCCCCNC(=O)CC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C16H24N2O2/c1-4-5-6-9-17-15(19)11-16(20)18-14-8-7-12(2)10-13(14)3/h7-8,10H,4-6,9,11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyUABLUWSNWHOBGJ-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N'-(2-bromo-4-methylphenyl)-N-propylpropanediamide
CID 108940742
N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide
CID 47205616
N-(2,4-dimethylphenyl)-3-(propylamino)propanamide
CID 109011557
N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide
CID 109005960
1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145123
1-[2-methyl-4-[3-methyl-4-(octadecylcarbamoylamino)phenyl]phenyl]-3-octadecylurea
CID 15667709
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide
CID 108949721
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
N-[(2,4-dimethylphenyl)carbamothioyl]heptanamide
CID 54789192
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpropanediamide
CID 108951986
N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide
CID 108941058
N'-(2-bromophenyl)-N-(2,4-dimethylphenyl)propanediamide
CID 108953507

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylphenyl)-N-pentylpropanediamide?
The IUPAC name of N'-(2,4-dimethylphenyl)-N-pentylpropanediamide (CID 108951896) is N'-(2,4-dimethylphenyl)-N-pentylpropanediamide.
What is the SMILES notation for N'-(2,4-dimethylphenyl)-N-pentylpropanediamide?
The canonical SMILES for N'-(2,4-dimethylphenyl)-N-pentylpropanediamide is CCCCCNC(=O)CC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of N'-(2,4-dimethylphenyl)-N-pentylpropanediamide?
The InChIKey is UABLUWSNWHOBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-5-6-9-17-15(19)11-16(20)18-14-8-7-12(2)10-13(14)3/h7-8,10H,4-6,9,11H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N'-(2,4-dimethylphenyl)-N-pentylpropanediamide?
N'-(2,4-dimethylphenyl)-N-pentylpropanediamide has a molecular weight of 276.38 g/mol, XLogP of 2.94, 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-pentylpropanediamide is sourced from PubChem (CID 108951896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).