N-(2,8-dimethylnonan-5-yl)prop-2-enamide

C14H27NO — CID 14457396

IUPACN-(2,8-dimethylnonan-5-yl)prop-2-enamide
SMILESC=CC(=O)NC(CCC(C)C)CCC(C)C
InChIInChI=1S/C14H27NO/c1-6-14(16)15-13(9-7-11(2)3)10-8-12(4)5/h6,11-13H,1,7-10H2,2-5H3,(H,15,16)
InChIKeyZUQUQJVSMUMIDE-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.53
Rot. Bonds8

About N-(2,8-dimethylnonan-5-yl)prop-2-enamide

N-(2,8-dimethylnonan-5-yl)prop-2-enamide (PubChem CID 14457396) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(2,8-dimethylnonan-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,8-dimethylnonan-5-yl)prop-2-enamide
PubChem CID14457396
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(2,8-dimethylnonan-5-yl)prop-2-enamide
SMILESC=CC(=O)NC(CCC(C)C)CCC(C)C
InChIInChI=1S/C14H27NO/c1-6-14(16)15-13(9-7-11(2)3)10-8-12(4)5/h6,11-13H,1,7-10H2,2-5H3,(H,15,16)
InChIKeyZUQUQJVSMUMIDE-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethylnonan-5-yl)prop-2-enamide?
The IUPAC name of N-(2,8-dimethylnonan-5-yl)prop-2-enamide (CID 14457396) is N-(2,8-dimethylnonan-5-yl)prop-2-enamide.
What is the SMILES notation for N-(2,8-dimethylnonan-5-yl)prop-2-enamide?
The canonical SMILES for N-(2,8-dimethylnonan-5-yl)prop-2-enamide is C=CC(=O)NC(CCC(C)C)CCC(C)C.
What is the InChIKey of N-(2,8-dimethylnonan-5-yl)prop-2-enamide?
The InChIKey is ZUQUQJVSMUMIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-14(16)15-13(9-7-11(2)3)10-8-12(4)5/h6,11-13H,1,7-10H2,2-5H3,(H,15,16).
What are the key properties of N-(2,8-dimethylnonan-5-yl)prop-2-enamide?
N-(2,8-dimethylnonan-5-yl)prop-2-enamide has a molecular weight of 225.38 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethylnonan-5-yl)prop-2-enamide is sourced from PubChem (CID 14457396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).