N-(3,8-dimethyldeca-3,5,7-trien-2-yl)propanamide

C15H25NO — CID 90881830

IUPACN-(3,8-dimethyldeca-3,5,7-trien-2-yl)propanamide
SMILESCCC(=O)NC(C)C(C)=CC=CC=C(C)CC
InChIInChI=1S/C15H25NO/c1-6-12(3)10-8-9-11-13(4)14(5)16-15(17)7-2/h8-11,14H,6-7H2,1-5H3,(H,16,17)
InChIKeyWUDCDYXJTVYMEI-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.76
Rot. Bonds6

About N-(3,8-dimethyldeca-3,5,7-trien-2-yl)propanamide

N-(3,8-dimethyldeca-3,5,7-trien-2-yl)propanamide (PubChem CID 90881830) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(3,8-dimethyldeca-3,5,7-trien-2-yl)propanamide.

Molecular Properties

Compound NameN-(3,8-dimethyldeca-3,5,7-trien-2-yl)propanamide
PubChem CID90881830
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(3,8-dimethyldeca-3,5,7-trien-2-yl)propanamide
SMILESCCC(=O)NC(C)C(C)=CC=CC=C(C)CC
InChIInChI=1S/C15H25NO/c1-6-12(3)10-8-9-11-13(4)14(5)16-15(17)7-2/h8-11,14H,6-7H2,1-5H3,(H,16,17)
InChIKeyWUDCDYXJTVYMEI-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,8-dimethyldeca-3,5,7-trien-2-yl)propanamide?
The IUPAC name of N-(3,8-dimethyldeca-3,5,7-trien-2-yl)propanamide (CID 90881830) is N-(3,8-dimethyldeca-3,5,7-trien-2-yl)propanamide.
What is the SMILES notation for N-(3,8-dimethyldeca-3,5,7-trien-2-yl)propanamide?
The canonical SMILES for N-(3,8-dimethyldeca-3,5,7-trien-2-yl)propanamide is CCC(=O)NC(C)C(C)=CC=CC=C(C)CC.
What is the InChIKey of N-(3,8-dimethyldeca-3,5,7-trien-2-yl)propanamide?
The InChIKey is WUDCDYXJTVYMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-12(3)10-8-9-11-13(4)14(5)16-15(17)7-2/h8-11,14H,6-7H2,1-5H3,(H,16,17).
What are the key properties of N-(3,8-dimethyldeca-3,5,7-trien-2-yl)propanamide?
N-(3,8-dimethyldeca-3,5,7-trien-2-yl)propanamide has a molecular weight of 235.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,8-dimethyldeca-3,5,7-trien-2-yl)propanamide is sourced from PubChem (CID 90881830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).