N-[(3S,4S)-3-methyloxan-4-yl]acetamide

C8H15NO2 — CID 162401416

IUPACN-[(3S,4S)-3-methyloxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1CCOC[C@H]1C
InChIInChI=1S/C8H15NO2/c1-6-5-11-4-3-8(6)9-7(2)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-,8+/m1/s1
InChIKeyBDZDWWJYDOWRQF-SVRRBLITSA-N
MW157.21 g/mol
LogP0.55
Rot. Bonds1

About N-[(3S,4S)-3-methyloxan-4-yl]acetamide

N-[(3S,4S)-3-methyloxan-4-yl]acetamide (PubChem CID 162401416) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-[(3S,4S)-3-methyloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-methyloxan-4-yl]acetamide
PubChem CID162401416
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-[(3S,4S)-3-methyloxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1CCOC[C@H]1C
InChIInChI=1S/C8H15NO2/c1-6-5-11-4-3-8(6)9-7(2)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-,8+/m1/s1
InChIKeyBDZDWWJYDOWRQF-SVRRBLITSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxan-4-yl)acetamide
CID 17952125
N-(2,2-dimethyloxan-4-yl)acetamide
CID 89959667
N-(3-fluorooxan-4-yl)-2-methylpropanamide
CID 124162800
N-[(3R,4S)-3-fluorooxan-4-yl]acetamide
CID 177993317
2,2,3,3,3-pentafluoro-N-(3-methyloxan-4-yl)propanamide
CID 114241529
2-fluoro-2-methyl-N-(3-methyloxan-4-yl)propanamide
CID 130173721
2,2-difluoro-N-(3-methyloxan-4-yl)acetamide
CID 130174524
3,3-difluoro-N-(3-methyloxan-4-yl)butanamide
CID 132298784
N-(3-fluorooxan-4-yl)acetamide
CID 145223801
3-methyl-N-(oxan-4-yl)butanamide
CID 57594956
N-(tetrahydropyran-4-ylmethyl)acetamide
CID 57617609
2,2-dimethyl-N-(oxan-4-yl)propanamide
CID 57632536

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-methyloxan-4-yl]acetamide?
The IUPAC name of N-[(3S,4S)-3-methyloxan-4-yl]acetamide (CID 162401416) is N-[(3S,4S)-3-methyloxan-4-yl]acetamide.
What is the SMILES notation for N-[(3S,4S)-3-methyloxan-4-yl]acetamide?
The canonical SMILES for N-[(3S,4S)-3-methyloxan-4-yl]acetamide is CC(=O)N[C@H]1CCOC[C@H]1C.
What is the InChIKey of N-[(3S,4S)-3-methyloxan-4-yl]acetamide?
The InChIKey is BDZDWWJYDOWRQF-SVRRBLITSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-5-11-4-3-8(6)9-7(2)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-,8+/m1/s1.
What are the key properties of N-[(3S,4S)-3-methyloxan-4-yl]acetamide?
N-[(3S,4S)-3-methyloxan-4-yl]acetamide has a molecular weight of 157.21 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-methyloxan-4-yl]acetamide is sourced from PubChem (CID 162401416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).