3-methyl-N-[(3R)-oxolan-3-yl]butanamide

C9H17NO2 — CID 176873242

IUPAC3-methyl-N-[(3R)-oxolan-3-yl]butanamide
SMILESCC(C)CC(=O)N[C@@H]1CCOC1
InChIInChI=1S/C9H17NO2/c1-7(2)5-9(11)10-8-3-4-12-6-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t8-/m1/s1
InChIKeyNMXFSDQNRNPEMP-MRVPVSSYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds3

About 3-methyl-N-[(3R)-oxolan-3-yl]butanamide

3-methyl-N-[(3R)-oxolan-3-yl]butanamide (PubChem CID 176873242) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-methyl-N-[(3R)-oxolan-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(3R)-oxolan-3-yl]butanamide
PubChem CID176873242
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-methyl-N-[(3R)-oxolan-3-yl]butanamide
SMILESCC(C)CC(=O)N[C@@H]1CCOC1
InChIInChI=1S/C9H17NO2/c1-7(2)5-9(11)10-8-3-4-12-6-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t8-/m1/s1
InChIKeyNMXFSDQNRNPEMP-MRVPVSSYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-N-(oxolan-3-yl)acetamide
CID 80713915
3,3-difluoro-N-(oxolan-3-yl)butanamide
CID 130702956
1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea
CID 115758248
1-cyclopropyl-1-(2-methylpropyl)-3-(oxolan-3-yl)urea
CID 115760645
N-cyclohexyl-3-methylbutanamide;methane
CID 161464891
3-(ethylamino)-N-(oxan-4-yl)butanamide
CID 62838798
4-chloro-N-(oxolan-3-yl)butanamide
CID 80717187
4-amino-4-methyl-N-(oxolan-3-yl)pentanamide
CID 80713467
(2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide
CID 97329335
1-butan-2-yl-1-ethyl-3-(oxolan-3-yl)urea
CID 116654204
2-(2-methylpropylamino)-N-(oxan-4-yl)acetamide
CID 63098322
N-(oxan-3-yl)-3-piperidin-3-ylbutanamide
CID 81043949

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3R)-oxolan-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[(3R)-oxolan-3-yl]butanamide (CID 176873242) is 3-methyl-N-[(3R)-oxolan-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[(3R)-oxolan-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[(3R)-oxolan-3-yl]butanamide is CC(C)CC(=O)N[C@@H]1CCOC1.
What is the InChIKey of 3-methyl-N-[(3R)-oxolan-3-yl]butanamide?
The InChIKey is NMXFSDQNRNPEMP-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)5-9(11)10-8-3-4-12-6-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t8-/m1/s1.
What are the key properties of 3-methyl-N-[(3R)-oxolan-3-yl]butanamide?
3-methyl-N-[(3R)-oxolan-3-yl]butanamide has a molecular weight of 171.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3R)-oxolan-3-yl]butanamide is sourced from PubChem (CID 176873242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).