2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide

C35H71NO — CID 89240534

IUPAC2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C35H71NO/c1-9-11-13-15-17-19-21-23-25-27-29-36(30-28-26-24-22-20-18-16-14-12-10-2)33(37)32(35(6,7)8)31-34(3,4)5/h32H,9-31H2,1-8H3
InChIKeyNWWQOEPWYYYFAD-UHFFFAOYSA-N
MW521.96 g/mol
LogP11.76
Rot. Bonds24

About 2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide

2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide (PubChem CID 89240534) has the molecular formula C35H71NO and a molecular weight of 521.96 g/mol. Its IUPAC name is 2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide
PubChem CID89240534
Molecular FormulaC35H71NO
Molecular Weight521.96 g/mol
Exact Mass521.55
IUPAC Name2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C35H71NO/c1-9-11-13-15-17-19-21-23-25-27-29-36(30-28-26-24-22-20-18-16-14-12-10-2)33(37)32(35(6,7)8)31-34(3,4)5/h32H,9-31H2,1-8H3
InChIKeyNWWQOEPWYYYFAD-UHFFFAOYSA-N
XLogP11.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.96
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-N,N,N',N'-tetrahexyl-2,3-dimethoxybutanediamide
CID 11420901
2-tert-butyl-N-dodecyl-4,4-dimethylpentanamide
CID 89331176
2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide
CID 107471112
2,2-dichloro-N,N-dihexylacetamide
CID 533320
N,N-didodecyl-2-hydroxyoctadecanamide
CID 175541857
2-amino-N,N-dihexylpropanamide
CID 54872127
2-chloro-N,N-dihexylpropanamide
CID 533081
N,N-diamino-2-tert-butyl-4,4-dimethylpentanamide
CID 174169742
2,2-dimethyl-N,N-di(nonyl)propanamide
CID 532840
(2R)-2-amino-N,N-dipentylpentanamide
CID 93372351
(2R)-2-amino-N,N-dihexyl-4-methylpentanamide
CID 104903090
N,N,N',N'-tetrahexyloxamide
CID 6424911

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide?
The IUPAC name of 2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide (CID 89240534) is 2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide.
What is the SMILES notation for 2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide?
The canonical SMILES for 2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide is CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)C(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide?
The InChIKey is NWWQOEPWYYYFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H71NO/c1-9-11-13-15-17-19-21-23-25-27-29-36(30-28-26-24-22-20-18-16-14-12-10-2)33(37)32(35(6,7)8)31-34(3,4)5/h32H,9-31H2,1-8H3.
What are the key properties of 2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide?
2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide has a molecular weight of 521.96 g/mol, XLogP of 11.76, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,N-didodecyl-4,4-dimethylpentanamide is sourced from PubChem (CID 89240534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).