N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide

C18H28N2O2 — CID 108966385

IUPACN-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
SMILESCCCCCNC(=O)C(C)(C)C(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C18H28N2O2/c1-5-7-8-13-19-16(21)18(3,4)17(22)20-15-11-9-14(6-2)10-12-15/h9-12H,5-8,13H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyMCOFJCZQEKAKPR-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.52
Rot. Bonds8

About N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide

N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide (PubChem CID 108966385) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
PubChem CID108966385
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
SMILESCCCCCNC(=O)C(C)(C)C(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C18H28N2O2/c1-5-7-8-13-19-16(21)18(3,4)17(22)20-15-11-9-14(6-2)10-12-15/h9-12H,5-8,13H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyMCOFJCZQEKAKPR-UHFFFAOYSA-N
XLogP3.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.52
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-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108957863
N-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966394
N-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108965059
N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962820
methyl 3-[[2,2-dimethyl-3-oxo-3-(pentylamino)propanoyl]amino]benzoate
CID 108966429
N-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964083
1-dodecyl-3-(4-ethylphenyl)thiourea
CID 19651364
ethyl 4-[[3-(4-ethylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108968302
1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140027
N-(2,5-dimethylphenyl)-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108967866
N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963397
ethyl 2-[[2,2-dimethyl-3-oxo-3-(pentylamino)propanoyl]amino]benzoate
CID 108966468

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide?
The IUPAC name of N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide (CID 108966385) is N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide.
What is the SMILES notation for N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide?
The canonical SMILES for N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide is CCCCCNC(=O)C(C)(C)C(=O)Nc1ccc(CC)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide?
The InChIKey is MCOFJCZQEKAKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-7-8-13-19-16(21)18(3,4)17(22)20-15-11-9-14(6-2)10-12-15/h9-12H,5-8,13H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide?
N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide has a molecular weight of 304.43 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide is sourced from PubChem (CID 108966385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).