4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide

C11H24N2O — CID 155599481

IUPAC4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide
SMILESCCNCCCC(=O)N(C)CC(C)C
InChIInChI=1S/C11H24N2O/c1-5-12-8-6-7-11(14)13(4)9-10(2)3/h10,12H,5-9H2,1-4H3
InChIKeyHYSPGNWJRVLLPJ-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.49
Rot. Bonds7

About 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide

4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide (PubChem CID 155599481) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide
PubChem CID155599481
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide
SMILESCCNCCCC(=O)N(C)CC(C)C
InChIInChI=1S/C11H24N2O/c1-5-12-8-6-7-11(14)13(4)9-10(2)3/h10,12H,5-9H2,1-4H3
InChIKeyHYSPGNWJRVLLPJ-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide?
The IUPAC name of 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide (CID 155599481) is 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide?
The canonical SMILES for 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide is CCNCCCC(=O)N(C)CC(C)C.
What is the InChIKey of 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide?
The InChIKey is HYSPGNWJRVLLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-12-8-6-7-11(14)13(4)9-10(2)3/h10,12H,5-9H2,1-4H3.
What are the key properties of 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide?
4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide has a molecular weight of 200.33 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 155599481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).