N-[1-(2,2-dimethylpropylamino)-3-[2,2-dimethylpropyl(methyl)amino]propan-2-yl]-7,7-dimethyloctanamide

C24H51N3O — CID 59863728

IUPACN-[1-(2,2-dimethylpropylamino)-3-[2,2-dimethylpropyl(methyl)amino]propan-2-yl]-7,7-dimethyloctanamide
SMILESCN(CC(CNCC(C)(C)C)NC(=O)CCCCCC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C24H51N3O/c1-22(2,3)15-13-11-12-14-21(28)26-20(16-25-18-23(4,5)6)17-27(10)19-24(7,8)9/h20,25H,11-19H2,1-10H3,(H,26,28)
InChIKeyWYAUDDGZNOUHLQ-UHFFFAOYSA-N
MW397.69 g/mol
LogP5.08
Rot. Bonds12

About N-[1-(2,2-dimethylpropylamino)-3-[2,2-dimethylpropyl(methyl)amino]propan-2-yl]-7,7-dimethyloctanamide

N-[1-(2,2-dimethylpropylamino)-3-[2,2-dimethylpropyl(methyl)amino]propan-2-yl]-7,7-dimethyloctanamide (PubChem CID 59863728) has the molecular formula C24H51N3O and a molecular weight of 397.69 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropylamino)-3-[2,2-dimethylpropyl(methyl)amino]propan-2-yl]-7,7-dimethyloctanamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropylamino)-3-[2,2-dimethylpropyl(methyl)amino]propan-2-yl]-7,7-dimethyloctanamide
PubChem CID59863728
Molecular FormulaC24H51N3O
Molecular Weight397.69 g/mol
Exact Mass397.40
IUPAC NameN-[1-(2,2-dimethylpropylamino)-3-[2,2-dimethylpropyl(methyl)amino]propan-2-yl]-7,7-dimethyloctanamide
SMILESCN(CC(CNCC(C)(C)C)NC(=O)CCCCCC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C24H51N3O/c1-22(2,3)15-13-11-12-14-21(28)26-20(16-25-18-23(4,5)6)17-27(10)19-24(7,8)9/h20,25H,11-19H2,1-10H3,(H,26,28)
InChIKeyWYAUDDGZNOUHLQ-UHFFFAOYSA-N
XLogP5.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.69
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropylamino)-3-[2,2-dimethylpropyl(methyl)amino]propan-2-yl]-7,7-dimethyloctanamide?
The IUPAC name of N-[1-(2,2-dimethylpropylamino)-3-[2,2-dimethylpropyl(methyl)amino]propan-2-yl]-7,7-dimethyloctanamide (CID 59863728) is N-[1-(2,2-dimethylpropylamino)-3-[2,2-dimethylpropyl(methyl)amino]propan-2-yl]-7,7-dimethyloctanamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropylamino)-3-[2,2-dimethylpropyl(methyl)amino]propan-2-yl]-7,7-dimethyloctanamide?
The canonical SMILES for N-[1-(2,2-dimethylpropylamino)-3-[2,2-dimethylpropyl(methyl)amino]propan-2-yl]-7,7-dimethyloctanamide is CN(CC(CNCC(C)(C)C)NC(=O)CCCCCC(C)(C)C)CC(C)(C)C.
What is the InChIKey of N-[1-(2,2-dimethylpropylamino)-3-[2,2-dimethylpropyl(methyl)amino]propan-2-yl]-7,7-dimethyloctanamide?
The InChIKey is WYAUDDGZNOUHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N3O/c1-22(2,3)15-13-11-12-14-21(28)26-20(16-25-18-23(4,5)6)17-27(10)19-24(7,8)9/h20,25H,11-19H2,1-10H3,(H,26,28).
What are the key properties of N-[1-(2,2-dimethylpropylamino)-3-[2,2-dimethylpropyl(methyl)amino]propan-2-yl]-7,7-dimethyloctanamide?
N-[1-(2,2-dimethylpropylamino)-3-[2,2-dimethylpropyl(methyl)amino]propan-2-yl]-7,7-dimethyloctanamide has a molecular weight of 397.69 g/mol, XLogP of 5.08, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropylamino)-3-[2,2-dimethylpropyl(methyl)amino]propan-2-yl]-7,7-dimethyloctanamide is sourced from PubChem (CID 59863728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).