N-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide

C20H32N2O2 — CID 108966394

IUPACN-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
SMILESCCCCCNC(=O)C(C)(C)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H32N2O2/c1-7-8-9-14-21-17(23)20(5,6)18(24)22-16-12-10-15(11-13-16)19(2,3)4/h10-13H,7-9,14H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyBYLORBJNKODUQM-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.26
Rot. Bonds7

About N-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide

N-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide (PubChem CID 108966394) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
PubChem CID108966394
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
SMILESCCCCCNC(=O)C(C)(C)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H32N2O2/c1-7-8-9-14-21-17(23)20(5,6)18(24)22-16-12-10-15(11-13-16)19(2,3)4/h10-13H,7-9,14H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyBYLORBJNKODUQM-UHFFFAOYSA-N
XLogP4.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.26
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-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966385
N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108957863
methyl 3-[[2,2-dimethyl-3-oxo-3-(pentylamino)propanoyl]amino]benzoate
CID 108966429
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
CID 108957871
N-(4-tert-butylphenyl)dodecanamide
CID 118504435
N-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966461
N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108960603
N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195848
N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 58419108
N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959753
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-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide?
The IUPAC name of N-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide (CID 108966394) is N-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide is CCCCCNC(=O)C(C)(C)C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide?
The InChIKey is BYLORBJNKODUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-7-8-9-14-21-17(23)20(5,6)18(24)22-16-12-10-15(11-13-16)19(2,3)4/h10-13H,7-9,14H2,1-6H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide?
N-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide has a molecular weight of 332.49 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide is sourced from PubChem (CID 108966394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).