decane;ethane;N-methyl-N-(2-methylprop-1-enyl)acetamide

C19H41NO — CID 144869646

IUPACdecane;ethane;N-methyl-N-(2-methylprop-1-enyl)acetamide
SMILESCC.CC(=O)N(C)C=C(C)C.CCCCCCCCCC
InChIInChI=1S/C10H22.C7H13NO.C2H6/c1-3-5-7-9-10-8-6-4-2;1-6(2)5-8(4)7(3)9;1-2/h3-10H2,1-2H3;5H,1-4H3;1-2H3
InChIKeyPWBJLJNKUYBQNL-UHFFFAOYSA-N
MW299.54 g/mol
LogP6.56
Rot. Bonds8

About decane;ethane;N-methyl-N-(2-methylprop-1-enyl)acetamide

decane;ethane;N-methyl-N-(2-methylprop-1-enyl)acetamide (PubChem CID 144869646) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is decane;ethane;N-methyl-N-(2-methylprop-1-enyl)acetamide.

Molecular Properties

Compound Namedecane;ethane;N-methyl-N-(2-methylprop-1-enyl)acetamide
PubChem CID144869646
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Namedecane;ethane;N-methyl-N-(2-methylprop-1-enyl)acetamide
SMILESCC.CC(=O)N(C)C=C(C)C.CCCCCCCCCC
InChIInChI=1S/C10H22.C7H13NO.C2H6/c1-3-5-7-9-10-8-6-4-2;1-6(2)5-8(4)7(3)9;1-2/h3-10H2,1-2H3;5H,1-4H3;1-2H3
InChIKeyPWBJLJNKUYBQNL-UHFFFAOYSA-N
XLogP6.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 decane;ethane;N-methyl-N-(2-methylprop-1-enyl)acetamide?
The IUPAC name of decane;ethane;N-methyl-N-(2-methylprop-1-enyl)acetamide (CID 144869646) is decane;ethane;N-methyl-N-(2-methylprop-1-enyl)acetamide.
What is the SMILES notation for decane;ethane;N-methyl-N-(2-methylprop-1-enyl)acetamide?
The canonical SMILES for decane;ethane;N-methyl-N-(2-methylprop-1-enyl)acetamide is CC.CC(=O)N(C)C=C(C)C.CCCCCCCCCC.
What is the InChIKey of decane;ethane;N-methyl-N-(2-methylprop-1-enyl)acetamide?
The InChIKey is PWBJLJNKUYBQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C7H13NO.C2H6/c1-3-5-7-9-10-8-6-4-2;1-6(2)5-8(4)7(3)9;1-2/h3-10H2,1-2H3;5H,1-4H3;1-2H3.
What are the key properties of decane;ethane;N-methyl-N-(2-methylprop-1-enyl)acetamide?
decane;ethane;N-methyl-N-(2-methylprop-1-enyl)acetamide has a molecular weight of 299.54 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decane;ethane;N-methyl-N-(2-methylprop-1-enyl)acetamide is sourced from PubChem (CID 144869646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).