N-[1-[(2R,4R)-2-ethoxy-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide

C14H26N2O4 — CID 155740109

IUPACN-[1-[(2R,4R)-2-ethoxy-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide
SMILESCCO[C@@H]1C[C@@H](O)CN1C(=O)C(NC(C)=O)C(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-6-20-11-7-10(18)8-16(11)13(19)12(14(3,4)5)15-9(2)17/h10-12,18H,6-8H2,1-5H3,(H,15,17)/t10-,11-,12?/m1/s1
InChIKeyLYFQOEVKYXNNNJ-XFKKCKKNSA-N
MW286.37 g/mol
LogP0.49
Rot. Bonds4

About N-[1-[(2R,4R)-2-ethoxy-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide

N-[1-[(2R,4R)-2-ethoxy-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide (PubChem CID 155740109) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[1-[(2R,4R)-2-ethoxy-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2R,4R)-2-ethoxy-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide
PubChem CID155740109
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC NameN-[1-[(2R,4R)-2-ethoxy-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide
SMILESCCO[C@@H]1C[C@@H](O)CN1C(=O)C(NC(C)=O)C(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-6-20-11-7-10(18)8-16(11)13(19)12(14(3,4)5)15-9(2)17/h10-12,18H,6-8H2,1-5H3,(H,15,17)/t10-,11-,12?/m1/s1
InChIKeyLYFQOEVKYXNNNJ-XFKKCKKNSA-N
XLogP0.49
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,4R)-2-ethoxy-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[1-[(2R,4R)-2-ethoxy-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide (CID 155740109) is N-[1-[(2R,4R)-2-ethoxy-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[1-[(2R,4R)-2-ethoxy-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[1-[(2R,4R)-2-ethoxy-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide is CCO[C@@H]1C[C@@H](O)CN1C(=O)C(NC(C)=O)C(C)(C)C.
What is the InChIKey of N-[1-[(2R,4R)-2-ethoxy-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide?
The InChIKey is LYFQOEVKYXNNNJ-XFKKCKKNSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-6-20-11-7-10(18)8-16(11)13(19)12(14(3,4)5)15-9(2)17/h10-12,18H,6-8H2,1-5H3,(H,15,17)/t10-,11-,12?/m1/s1.
What are the key properties of N-[1-[(2R,4R)-2-ethoxy-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide?
N-[1-[(2R,4R)-2-ethoxy-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide has a molecular weight of 286.37 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,4R)-2-ethoxy-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 155740109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).