2-(cyclopropylmethoxy)-3,3-dimethylbutanamide

C10H19NO2 — CID 140911434

IUPAC2-(cyclopropylmethoxy)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(OCC1CC1)C(N)=O
InChIInChI=1S/C10H19NO2/c1-10(2,3)8(9(11)12)13-6-7-4-5-7/h7-8H,4-6H2,1-3H3,(H2,11,12)
InChIKeyAYDZAGHRKOXSJJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.31
Rot. Bonds4

About 2-(cyclopropylmethoxy)-3,3-dimethylbutanamide

2-(cyclopropylmethoxy)-3,3-dimethylbutanamide (PubChem CID 140911434) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-3,3-dimethylbutanamide
PubChem CID140911434
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(cyclopropylmethoxy)-3,3-dimethylbutanamide
SMILESCC(C)(C)C(OCC1CC1)C(N)=O
InChIInChI=1S/C10H19NO2/c1-10(2,3)8(9(11)12)13-6-7-4-5-7/h7-8H,4-6H2,1-3H3,(H2,11,12)
InChIKeyAYDZAGHRKOXSJJ-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-3,3-dimethylbutanamide?
The IUPAC name of 2-(cyclopropylmethoxy)-3,3-dimethylbutanamide (CID 140911434) is 2-(cyclopropylmethoxy)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-3,3-dimethylbutanamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-3,3-dimethylbutanamide is CC(C)(C)C(OCC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylmethoxy)-3,3-dimethylbutanamide?
The InChIKey is AYDZAGHRKOXSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)8(9(11)12)13-6-7-4-5-7/h7-8H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of 2-(cyclopropylmethoxy)-3,3-dimethylbutanamide?
2-(cyclopropylmethoxy)-3,3-dimethylbutanamide has a molecular weight of 185.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-3,3-dimethylbutanamide is sourced from PubChem (CID 140911434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).