N-[(3-methoxyoxolan-3-yl)methyl]butanamide

C10H19NO3 — CID 104708916

IUPACN-[(3-methoxyoxolan-3-yl)methyl]butanamide
SMILESCCCC(=O)NCC1(OC)CCOC1
InChIInChI=1S/C10H19NO3/c1-3-4-9(12)11-7-10(13-2)5-6-14-8-10/h3-8H2,1-2H3,(H,11,12)
InChIKeyMWEAOFPFBWOQGS-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.71
Rot. Bonds5

About N-[(3-methoxyoxolan-3-yl)methyl]butanamide

N-[(3-methoxyoxolan-3-yl)methyl]butanamide (PubChem CID 104708916) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]butanamide
PubChem CID104708916
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]butanamide
SMILESCCCC(=O)NCC1(OC)CCOC1
InChIInChI=1S/C10H19NO3/c1-3-4-9(12)11-7-10(13-2)5-6-14-8-10/h3-8H2,1-2H3,(H,11,12)
InChIKeyMWEAOFPFBWOQGS-UHFFFAOYSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]butanamide (CID 104708916) is N-[(3-methoxyoxolan-3-yl)methyl]butanamide.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]butanamide is CCCC(=O)NCC1(OC)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
The InChIKey is MWEAOFPFBWOQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-4-9(12)11-7-10(13-2)5-6-14-8-10/h3-8H2,1-2H3,(H,11,12).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]butanamide?
N-[(3-methoxyoxolan-3-yl)methyl]butanamide has a molecular weight of 201.27 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]butanamide is sourced from PubChem (CID 104708916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).