2-(cyclopropylmethoxy)-N,3,3-trimethylbutanamide

C11H21NO2 — CID 89103091

IUPAC2-(cyclopropylmethoxy)-N,3,3-trimethylbutanamide
SMILESCNC(=O)C(OCC1CC1)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-11(2,3)9(10(13)12-4)14-7-8-5-6-8/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyUBNITKKDLLPKLS-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds4

About 2-(cyclopropylmethoxy)-N,3,3-trimethylbutanamide

2-(cyclopropylmethoxy)-N,3,3-trimethylbutanamide (PubChem CID 89103091) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N,3,3-trimethylbutanamide
PubChem CID89103091
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(cyclopropylmethoxy)-N,3,3-trimethylbutanamide
SMILESCNC(=O)C(OCC1CC1)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-11(2,3)9(10(13)12-4)14-7-8-5-6-8/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyUBNITKKDLLPKLS-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N,3,3-trimethylbutanamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N,3,3-trimethylbutanamide (CID 89103091) is 2-(cyclopropylmethoxy)-N,3,3-trimethylbutanamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N,3,3-trimethylbutanamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N,3,3-trimethylbutanamide is CNC(=O)C(OCC1CC1)C(C)(C)C.
What is the InChIKey of 2-(cyclopropylmethoxy)-N,3,3-trimethylbutanamide?
The InChIKey is UBNITKKDLLPKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)9(10(13)12-4)14-7-8-5-6-8/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-(cyclopropylmethoxy)-N,3,3-trimethylbutanamide?
2-(cyclopropylmethoxy)-N,3,3-trimethylbutanamide has a molecular weight of 199.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 89103091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).