N-tert-butyl-2-(cyclopropylmethoxy)-3-methylbutanamide

C13H25NO2 — CID 20790226

IUPACN-tert-butyl-2-(cyclopropylmethoxy)-3-methylbutanamide
SMILESCC(C)C(OCC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-9(2)11(16-8-10-6-7-10)12(15)14-13(3,4)5/h9-11H,6-8H2,1-5H3,(H,14,15)
InChIKeyDEBQOSBBELKJHN-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.35
Rot. Bonds5

About N-tert-butyl-2-(cyclopropylmethoxy)-3-methylbutanamide

N-tert-butyl-2-(cyclopropylmethoxy)-3-methylbutanamide (PubChem CID 20790226) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclopropylmethoxy)-3-methylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclopropylmethoxy)-3-methylbutanamide
PubChem CID20790226
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-tert-butyl-2-(cyclopropylmethoxy)-3-methylbutanamide
SMILESCC(C)C(OCC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H25NO2/c1-9(2)11(16-8-10-6-7-10)12(15)14-13(3,4)5/h9-11H,6-8H2,1-5H3,(H,14,15)
InChIKeyDEBQOSBBELKJHN-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(cyclopropylmethoxy)-3-methylbutanamide?
The IUPAC name of N-tert-butyl-2-(cyclopropylmethoxy)-3-methylbutanamide (CID 20790226) is N-tert-butyl-2-(cyclopropylmethoxy)-3-methylbutanamide.
What is the SMILES notation for N-tert-butyl-2-(cyclopropylmethoxy)-3-methylbutanamide?
The canonical SMILES for N-tert-butyl-2-(cyclopropylmethoxy)-3-methylbutanamide is CC(C)C(OCC1CC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(cyclopropylmethoxy)-3-methylbutanamide?
The InChIKey is DEBQOSBBELKJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-9(2)11(16-8-10-6-7-10)12(15)14-13(3,4)5/h9-11H,6-8H2,1-5H3,(H,14,15).
What are the key properties of N-tert-butyl-2-(cyclopropylmethoxy)-3-methylbutanamide?
N-tert-butyl-2-(cyclopropylmethoxy)-3-methylbutanamide has a molecular weight of 227.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(cyclopropylmethoxy)-3-methylbutanamide is sourced from PubChem (CID 20790226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).