3-methyl-N-(10-methyl-8-oxoundeca-2,4-diynyl)butanamide

C17H25NO2 — CID 146847106

IUPAC3-methyl-N-(10-methyl-8-oxoundeca-2,4-diynyl)butanamide
SMILESCC(C)CC(=O)CCC#CC#CCNC(=O)CC(C)C
InChIInChI=1S/C17H25NO2/c1-14(2)12-16(19)10-8-6-5-7-9-11-18-17(20)13-15(3)4/h14-15H,8,10-13H2,1-4H3,(H,18,20)
InChIKeySHOYXIOWNSLCJN-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.55
Rot. Bonds7

About 3-methyl-N-(10-methyl-8-oxoundeca-2,4-diynyl)butanamide

3-methyl-N-(10-methyl-8-oxoundeca-2,4-diynyl)butanamide (PubChem CID 146847106) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-methyl-N-(10-methyl-8-oxoundeca-2,4-diynyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(10-methyl-8-oxoundeca-2,4-diynyl)butanamide
PubChem CID146847106
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-methyl-N-(10-methyl-8-oxoundeca-2,4-diynyl)butanamide
SMILESCC(C)CC(=O)CCC#CC#CCNC(=O)CC(C)C
InChIInChI=1S/C17H25NO2/c1-14(2)12-16(19)10-8-6-5-7-9-11-18-17(20)13-15(3)4/h14-15H,8,10-13H2,1-4H3,(H,18,20)
InChIKeySHOYXIOWNSLCJN-UHFFFAOYSA-N
XLogP2.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(10-methyl-8-oxoundeca-2,4-diynyl)butanamide?
The IUPAC name of 3-methyl-N-(10-methyl-8-oxoundeca-2,4-diynyl)butanamide (CID 146847106) is 3-methyl-N-(10-methyl-8-oxoundeca-2,4-diynyl)butanamide.
What is the SMILES notation for 3-methyl-N-(10-methyl-8-oxoundeca-2,4-diynyl)butanamide?
The canonical SMILES for 3-methyl-N-(10-methyl-8-oxoundeca-2,4-diynyl)butanamide is CC(C)CC(=O)CCC#CC#CCNC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-(10-methyl-8-oxoundeca-2,4-diynyl)butanamide?
The InChIKey is SHOYXIOWNSLCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14(2)12-16(19)10-8-6-5-7-9-11-18-17(20)13-15(3)4/h14-15H,8,10-13H2,1-4H3,(H,18,20).
What are the key properties of 3-methyl-N-(10-methyl-8-oxoundeca-2,4-diynyl)butanamide?
3-methyl-N-(10-methyl-8-oxoundeca-2,4-diynyl)butanamide has a molecular weight of 275.39 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(10-methyl-8-oxoundeca-2,4-diynyl)butanamide is sourced from PubChem (CID 146847106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).