2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide

C11H21NO3 — CID 97243047

IUPAC2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide
SMILESCCC(CC)C(=O)NC[C@@]1(O)CCOC1
InChIInChI=1S/C11H21NO3/c1-3-9(4-2)10(13)12-7-11(14)5-6-15-8-11/h9,14H,3-8H2,1-2H3,(H,12,13)/t11-/m0/s1
InChIKeyNKGMAKODBQPXJN-NSHDSACASA-N
MW215.29 g/mol
LogP0.69
Rot. Bonds5

About 2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide

2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide (PubChem CID 97243047) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide
PubChem CID97243047
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide
SMILESCCC(CC)C(=O)NC[C@@]1(O)CCOC1
InChIInChI=1S/C11H21NO3/c1-3-9(4-2)10(13)12-7-11(14)5-6-15-8-11/h9,14H,3-8H2,1-2H3,(H,12,13)/t11-/m0/s1
InChIKeyNKGMAKODBQPXJN-NSHDSACASA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]heptanamide
CID 121557397
3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103848696
4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 103849084
3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide
CID 106102867
3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide
CID 106102924
3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 107302093
2,2-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302105
4,4,4-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 107302167
2-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 126972964
3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 136538217
N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide
CID 65111966
N-(2-hydroxy-2-methylbutyl)oxolane-3-carboxamide
CID 65114584

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide?
The IUPAC name of 2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide (CID 97243047) is 2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide is CCC(CC)C(=O)NC[C@@]1(O)CCOC1.
What is the InChIKey of 2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide?
The InChIKey is NKGMAKODBQPXJN-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-9(4-2)10(13)12-7-11(14)5-6-15-8-11/h9,14H,3-8H2,1-2H3,(H,12,13)/t11-/m0/s1.
What are the key properties of 2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide?
2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide has a molecular weight of 215.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]butanamide is sourced from PubChem (CID 97243047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).