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

C12H25NO2 — CID 153438601

IUPACN-(4,4-dimethylpentyl)-3-methoxy-2-methylpropanamide
SMILESCOCC(C)C(=O)NCCCC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-10(9-15-5)11(14)13-8-6-7-12(2,3)4/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyKAERJTAJRVDGLU-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.21
Rot. Bonds6

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

N-(4,4-dimethylpentyl)-3-methoxy-2-methylpropanamide (PubChem CID 153438601) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-3-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-3-methoxy-2-methylpropanamide
PubChem CID153438601
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(4,4-dimethylpentyl)-3-methoxy-2-methylpropanamide
SMILESCOCC(C)C(=O)NCCCC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-10(9-15-5)11(14)13-8-6-7-12(2,3)4/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyKAERJTAJRVDGLU-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.21
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-methylpropanamide?
The IUPAC name of N-(4,4-dimethylpentyl)-3-methoxy-2-methylpropanamide (CID 153438601) is N-(4,4-dimethylpentyl)-3-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)-3-methoxy-2-methylpropanamide?
The canonical SMILES for N-(4,4-dimethylpentyl)-3-methoxy-2-methylpropanamide is COCC(C)C(=O)NCCCC(C)(C)C.
What is the InChIKey of N-(4,4-dimethylpentyl)-3-methoxy-2-methylpropanamide?
The InChIKey is KAERJTAJRVDGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(9-15-5)11(14)13-8-6-7-12(2,3)4/h10H,6-9H2,1-5H3,(H,13,14).
What are the key properties of N-(4,4-dimethylpentyl)-3-methoxy-2-methylpropanamide?
N-(4,4-dimethylpentyl)-3-methoxy-2-methylpropanamide has a molecular weight of 215.34 g/mol, XLogP of 2.21, 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-methylpropanamide is sourced from PubChem (CID 153438601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).