N-tert-butyl-3,3-dimethyl-2-propoxybutanamide

C13H27NO2 — CID 20790250

IUPACN-tert-butyl-3,3-dimethyl-2-propoxybutanamide
SMILESCCCOC(C(=O)NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27NO2/c1-8-9-16-10(12(2,3)4)11(15)14-13(5,6)7/h10H,8-9H2,1-7H3,(H,14,15)
InChIKeyHQUOUURLUOHEMI-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.74
Rot. Bonds4

About N-tert-butyl-3,3-dimethyl-2-propoxybutanamide

N-tert-butyl-3,3-dimethyl-2-propoxybutanamide (PubChem CID 20790250) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-tert-butyl-3,3-dimethyl-2-propoxybutanamide.

Molecular Properties

Compound NameN-tert-butyl-3,3-dimethyl-2-propoxybutanamide
PubChem CID20790250
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-tert-butyl-3,3-dimethyl-2-propoxybutanamide
SMILESCCCOC(C(=O)NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27NO2/c1-8-9-16-10(12(2,3)4)11(15)14-13(5,6)7/h10H,8-9H2,1-7H3,(H,14,15)
InChIKeyHQUOUURLUOHEMI-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-dimethyl-2-propoxybutanamide?
The IUPAC name of N-tert-butyl-3,3-dimethyl-2-propoxybutanamide (CID 20790250) is N-tert-butyl-3,3-dimethyl-2-propoxybutanamide.
What is the SMILES notation for N-tert-butyl-3,3-dimethyl-2-propoxybutanamide?
The canonical SMILES for N-tert-butyl-3,3-dimethyl-2-propoxybutanamide is CCCOC(C(=O)NC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-3,3-dimethyl-2-propoxybutanamide?
The InChIKey is HQUOUURLUOHEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-8-9-16-10(12(2,3)4)11(15)14-13(5,6)7/h10H,8-9H2,1-7H3,(H,14,15).
What are the key properties of N-tert-butyl-3,3-dimethyl-2-propoxybutanamide?
N-tert-butyl-3,3-dimethyl-2-propoxybutanamide has a molecular weight of 229.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-dimethyl-2-propoxybutanamide is sourced from PubChem (CID 20790250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).