N-(4,4-dimethylpentyl)-3-methoxy-2,2-dimethylpropanamide

C13H27NO2 — CID 146179792

IUPACN-(4,4-dimethylpentyl)-3-methoxy-2,2-dimethylpropanamide
SMILESCOCC(C)(C)C(=O)NCCCC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-12(2,3)8-7-9-14-11(15)13(4,5)10-16-6/h7-10H2,1-6H3,(H,14,15)
InChIKeySLWYRSDOWDXXOT-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.60
Rot. Bonds6

About N-(4,4-dimethylpentyl)-3-methoxy-2,2-dimethylpropanamide

N-(4,4-dimethylpentyl)-3-methoxy-2,2-dimethylpropanamide (PubChem CID 146179792) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-3-methoxy-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-3-methoxy-2,2-dimethylpropanamide
PubChem CID146179792
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(4,4-dimethylpentyl)-3-methoxy-2,2-dimethylpropanamide
SMILESCOCC(C)(C)C(=O)NCCCC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-12(2,3)8-7-9-14-11(15)13(4,5)10-16-6/h7-10H2,1-6H3,(H,14,15)
InChIKeySLWYRSDOWDXXOT-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)-3-methoxy-2,2-dimethylpropanamide?
The IUPAC name of N-(4,4-dimethylpentyl)-3-methoxy-2,2-dimethylpropanamide (CID 146179792) is N-(4,4-dimethylpentyl)-3-methoxy-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)-3-methoxy-2,2-dimethylpropanamide?
The canonical SMILES for N-(4,4-dimethylpentyl)-3-methoxy-2,2-dimethylpropanamide is COCC(C)(C)C(=O)NCCCC(C)(C)C.
What is the InChIKey of N-(4,4-dimethylpentyl)-3-methoxy-2,2-dimethylpropanamide?
The InChIKey is SLWYRSDOWDXXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2,3)8-7-9-14-11(15)13(4,5)10-16-6/h7-10H2,1-6H3,(H,14,15).
What are the key properties of N-(4,4-dimethylpentyl)-3-methoxy-2,2-dimethylpropanamide?
N-(4,4-dimethylpentyl)-3-methoxy-2,2-dimethylpropanamide has a molecular weight of 229.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)-3-methoxy-2,2-dimethylpropanamide is sourced from PubChem (CID 146179792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).