N-(2,2-dimethylpropanoyl)-9-methoxynonanamide

C15H29NO3 — CID 54243530

IUPACN-(2,2-dimethylpropanoyl)-9-methoxynonanamide
SMILESCOCCCCCCCCC(=O)NC(=O)C(C)(C)C
InChIInChI=1S/C15H29NO3/c1-15(2,3)14(18)16-13(17)11-9-7-5-6-8-10-12-19-4/h5-12H2,1-4H3,(H,16,17,18)
InChIKeyQRRBAOCYJQXEFS-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.05
Rot. Bonds9

About N-(2,2-dimethylpropanoyl)-9-methoxynonanamide

N-(2,2-dimethylpropanoyl)-9-methoxynonanamide (PubChem CID 54243530) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-(2,2-dimethylpropanoyl)-9-methoxynonanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropanoyl)-9-methoxynonanamide
PubChem CID54243530
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC NameN-(2,2-dimethylpropanoyl)-9-methoxynonanamide
SMILESCOCCCCCCCCC(=O)NC(=O)C(C)(C)C
InChIInChI=1S/C15H29NO3/c1-15(2,3)14(18)16-13(17)11-9-7-5-6-8-10-12-19-4/h5-12H2,1-4H3,(H,16,17,18)
InChIKeyQRRBAOCYJQXEFS-UHFFFAOYSA-N
XLogP3.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;7-methoxy-N-methylheptanamide
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7-methoxy-2,2-dimethylheptan-3-one
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CID 15432302
4-(5-methoxypentanoylamino)-4-methylpentanoic acid
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N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
17-methoxyheptadecan-2-one
CID 59530855
N-[3-(aminomethyl)pentan-3-yl]-5-methoxypentanamide;hydrochloride
CID 119570681
6-[2-(3-methoxypropoxy)ethoxy]hexanehydrazide
CID 103175984
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
12-methoxydodecanoyl 12-methoxydodecanoate
CID 57114790
N-tert-butyl-3-(4-methoxybutylamino)propanamide
CID 115605378

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropanoyl)-9-methoxynonanamide?
The IUPAC name of N-(2,2-dimethylpropanoyl)-9-methoxynonanamide (CID 54243530) is N-(2,2-dimethylpropanoyl)-9-methoxynonanamide.
What is the SMILES notation for N-(2,2-dimethylpropanoyl)-9-methoxynonanamide?
The canonical SMILES for N-(2,2-dimethylpropanoyl)-9-methoxynonanamide is COCCCCCCCCC(=O)NC(=O)C(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropanoyl)-9-methoxynonanamide?
The InChIKey is QRRBAOCYJQXEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-15(2,3)14(18)16-13(17)11-9-7-5-6-8-10-12-19-4/h5-12H2,1-4H3,(H,16,17,18).
What are the key properties of N-(2,2-dimethylpropanoyl)-9-methoxynonanamide?
N-(2,2-dimethylpropanoyl)-9-methoxynonanamide has a molecular weight of 271.40 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropanoyl)-9-methoxynonanamide is sourced from PubChem (CID 54243530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).