N-(4-tert-butylphenyl)dodecanamide

C22H37NO — CID 118504435

IUPACN-(4-tert-butylphenyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H37NO/c1-5-6-7-8-9-10-11-12-13-14-21(24)23-20-17-15-19(16-18-20)22(2,3)4/h15-18H,5-14H2,1-4H3,(H,23,24)
InChIKeyOGCIZTNJMMECIH-UHFFFAOYSA-N
MW331.54 g/mol
LogP6.84
Rot. Bonds11

About N-(4-tert-butylphenyl)dodecanamide

N-(4-tert-butylphenyl)dodecanamide (PubChem CID 118504435) has the molecular formula C22H37NO and a molecular weight of 331.54 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)dodecanamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)dodecanamide
PubChem CID118504435
Molecular FormulaC22H37NO
Molecular Weight331.54 g/mol
Exact Mass331.29
IUPAC NameN-(4-tert-butylphenyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H37NO/c1-5-6-7-8-9-10-11-12-13-14-21(24)23-20-17-15-19(16-18-20)22(2,3)4/h15-18H,5-14H2,1-4H3,(H,23,24)
InChIKeyOGCIZTNJMMECIH-UHFFFAOYSA-N
XLogP6.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.54
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
CID 173311186
N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
CID 19173570
4-tert-butyl-N-[4-[(octanoylamino)carbamoyl]phenyl]benzamide
CID 4958813
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
2-methyl-2-[4-(pentanoylamino)phenyl]propanoic acid
CID 80554792
N-[4-[2-[4-(dodecanoylamino)phenyl]ethynyl]phenyl]dodecanamide
CID 102416980
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide
CID 17235324

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)dodecanamide?
The IUPAC name of N-(4-tert-butylphenyl)dodecanamide (CID 118504435) is N-(4-tert-butylphenyl)dodecanamide.
What is the SMILES notation for N-(4-tert-butylphenyl)dodecanamide?
The canonical SMILES for N-(4-tert-butylphenyl)dodecanamide is CCCCCCCCCCCC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)dodecanamide?
The InChIKey is OGCIZTNJMMECIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO/c1-5-6-7-8-9-10-11-12-13-14-21(24)23-20-17-15-19(16-18-20)22(2,3)4/h15-18H,5-14H2,1-4H3,(H,23,24).
What are the key properties of N-(4-tert-butylphenyl)dodecanamide?
N-(4-tert-butylphenyl)dodecanamide has a molecular weight of 331.54 g/mol, XLogP of 6.84, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)dodecanamide is sourced from PubChem (CID 118504435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).