N-[5-(2,2-dimethylpropoxy)pent-3-enyl]-2,2-dimethylpropanamide

C15H29NO2 — CID 158766196

IUPACN-[5-(2,2-dimethylpropoxy)pent-3-enyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)COCC=CCCNC(=O)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-14(2,3)12-18-11-9-7-8-10-16-13(17)15(4,5)6/h7,9H,8,10-12H2,1-6H3,(H,16,17)
InChIKeySSKVLVDJIDHLNJ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.16
Rot. Bonds6

About N-[5-(2,2-dimethylpropoxy)pent-3-enyl]-2,2-dimethylpropanamide

N-[5-(2,2-dimethylpropoxy)pent-3-enyl]-2,2-dimethylpropanamide (PubChem CID 158766196) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropoxy)pent-3-enyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropoxy)pent-3-enyl]-2,2-dimethylpropanamide
PubChem CID158766196
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[5-(2,2-dimethylpropoxy)pent-3-enyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)COCC=CCCNC(=O)C(C)(C)C
InChIInChI=1S/C15H29NO2/c1-14(2,3)12-18-11-9-7-8-10-16-13(17)15(4,5)6/h7,9H,8,10-12H2,1-6H3,(H,16,17)
InChIKeySSKVLVDJIDHLNJ-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylpropoxy)pent-3-enyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(2,2-dimethylpropoxy)pent-3-enyl]-2,2-dimethylpropanamide (CID 158766196) is N-[5-(2,2-dimethylpropoxy)pent-3-enyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(2,2-dimethylpropoxy)pent-3-enyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(2,2-dimethylpropoxy)pent-3-enyl]-2,2-dimethylpropanamide is CC(C)(C)COCC=CCCNC(=O)C(C)(C)C.
What is the InChIKey of N-[5-(2,2-dimethylpropoxy)pent-3-enyl]-2,2-dimethylpropanamide?
The InChIKey is SSKVLVDJIDHLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-14(2,3)12-18-11-9-7-8-10-16-13(17)15(4,5)6/h7,9H,8,10-12H2,1-6H3,(H,16,17).
What are the key properties of N-[5-(2,2-dimethylpropoxy)pent-3-enyl]-2,2-dimethylpropanamide?
N-[5-(2,2-dimethylpropoxy)pent-3-enyl]-2,2-dimethylpropanamide has a molecular weight of 255.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpropoxy)pent-3-enyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 158766196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).