N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbutanamide

C10H19NO3 — CID 103849396

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C10H19NO3/c1-3-8(2)9(12)11-6-10(13)4-5-14-7-10/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyDQVKTMKMEKWHJY-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.30
Rot. Bonds4

About N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbutanamide

N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbutanamide (PubChem CID 103849396) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbutanamide
PubChem CID103849396
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C10H19NO3/c1-3-8(2)9(12)11-6-10(13)4-5-14-7-10/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyDQVKTMKMEKWHJY-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbutanamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbutanamide (CID 103849396) is N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbutanamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbutanamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbutanamide is CCC(C)C(=O)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbutanamide?
The InChIKey is DQVKTMKMEKWHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-8(2)9(12)11-6-10(13)4-5-14-7-10/h8,13H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbutanamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbutanamide has a molecular weight of 201.27 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbutanamide is sourced from PubChem (CID 103849396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).