N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide

C12H25NO2 — CID 135167679

IUPACN-tert-butyl-3-(2,2-dimethylpropoxy)propanamide
SMILESCC(C)(C)COCCC(=O)NC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-11(2,3)9-15-8-7-10(14)13-12(4,5)6/h7-9H2,1-6H3,(H,13,14)
InChIKeyRPKOMNFMHVSRCD-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.35
Rot. Bonds4

About N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide

N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide (PubChem CID 135167679) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2,2-dimethylpropoxy)propanamide
PubChem CID135167679
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-tert-butyl-3-(2,2-dimethylpropoxy)propanamide
SMILESCC(C)(C)COCCC(=O)NC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-11(2,3)9-15-8-7-10(14)13-12(4,5)6/h7-9H2,1-6H3,(H,13,14)
InChIKeyRPKOMNFMHVSRCD-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.35
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-tert-butyl-3-(2,2-dimethylpropoxy)propanamide?
The IUPAC name of N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide (CID 135167679) is N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide.
What is the SMILES notation for N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide?
The canonical SMILES for N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide is CC(C)(C)COCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide?
The InChIKey is RPKOMNFMHVSRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2,3)9-15-8-7-10(14)13-12(4,5)6/h7-9H2,1-6H3,(H,13,14).
What are the key properties of N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide?
N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide has a molecular weight of 215.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2,2-dimethylpropoxy)propanamide is sourced from PubChem (CID 135167679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).