N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,2,3-trimethylbut-3-enamide

C14H25NO4 — CID 91783033

IUPACN-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,2,3-trimethylbut-3-enamide
SMILESC=C(C)C(C)(C)C(=O)N[C@@H]1CCOC[C@H]1OCCO
InChIInChI=1S/C14H25NO4/c1-10(2)14(3,4)13(17)15-11-5-7-18-9-12(11)19-8-6-16/h11-12,16H,1,5-9H2,2-4H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyQZGMORWZAAQJPH-VXGBXAGGSA-N
MW271.36 g/mol
LogP0.87
Rot. Bonds6

About N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,2,3-trimethylbut-3-enamide

N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,2,3-trimethylbut-3-enamide (PubChem CID 91783033) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,2,3-trimethylbut-3-enamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,2,3-trimethylbut-3-enamide
PubChem CID91783033
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC NameN-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,2,3-trimethylbut-3-enamide
SMILESC=C(C)C(C)(C)C(=O)N[C@@H]1CCOC[C@H]1OCCO
InChIInChI=1S/C14H25NO4/c1-10(2)14(3,4)13(17)15-11-5-7-18-9-12(11)19-8-6-16/h11-12,16H,1,5-9H2,2-4H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyQZGMORWZAAQJPH-VXGBXAGGSA-N
XLogP0.87
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxyoxan-4-yl)acetamide
CID 131089007
N-[3-(2-hydroxyethoxy)oxan-4-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide
CID 156608304
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide
CID 91760856
4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide
CID 91772259
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-methyl-2-(4-methylphenoxy)propanamide
CID 91786617
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide
CID 91781227
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide
CID 91773132
N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-2-(methanesulfonamido)acetamide
CID 91789098
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 91780754
2-[(3S,4R)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]oxan-3-yl]oxyethanol
CID 91778452
3-chloro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-methylbenzenesulfonamide
CID 91773298
2-chloro-4-fluoro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-5-methylbenzenesulfonamide
CID 91774576

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,2,3-trimethylbut-3-enamide?
The IUPAC name of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,2,3-trimethylbut-3-enamide (CID 91783033) is N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,2,3-trimethylbut-3-enamide.
What is the SMILES notation for N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,2,3-trimethylbut-3-enamide?
The canonical SMILES for N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,2,3-trimethylbut-3-enamide is C=C(C)C(C)(C)C(=O)N[C@@H]1CCOC[C@H]1OCCO.
What is the InChIKey of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,2,3-trimethylbut-3-enamide?
The InChIKey is QZGMORWZAAQJPH-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(2)14(3,4)13(17)15-11-5-7-18-9-12(11)19-8-6-16/h11-12,16H,1,5-9H2,2-4H3,(H,15,17)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,2,3-trimethylbut-3-enamide?
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,2,3-trimethylbut-3-enamide has a molecular weight of 271.36 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,2,3-trimethylbut-3-enamide is sourced from PubChem (CID 91783033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).