(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

C14H25NO4 — CID 23875058

IUPAC(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@H]1OC(C(N)=O)=C[C@@H](C(C)C)[C@H]1CCCO
InChIInChI=1S/C14H25NO4/c1-4-18-14-10(6-5-7-16)11(9(2)3)8-12(19-14)13(15)17/h8-11,14,16H,4-7H2,1-3H3,(H2,15,17)/t10-,11+,14+/m1/s1
InChIKeyFSYGAQLBOMGUPP-SUNKGSAMSA-N
MW271.36 g/mol
LogP1.41
Rot. Bonds7

About (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23875058) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23875058
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@H]1OC(C(N)=O)=C[C@@H](C(C)C)[C@H]1CCCO
InChIInChI=1S/C14H25NO4/c1-4-18-14-10(6-5-7-16)11(9(2)3)8-12(19-14)13(15)17/h8-11,14,16H,4-7H2,1-3H3,(H2,15,17)/t10-,11+,14+/m1/s1
InChIKeyFSYGAQLBOMGUPP-SUNKGSAMSA-N
XLogP1.41
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 23875058) is (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@H]1OC(C(N)=O)=C[C@@H](C(C)C)[C@H]1CCCO.
What is the InChIKey of (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is FSYGAQLBOMGUPP-SUNKGSAMSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-18-14-10(6-5-7-16)11(9(2)3)8-12(19-14)13(15)17/h8-11,14,16H,4-7H2,1-3H3,(H2,15,17)/t10-,11+,14+/m1/s1.
What are the key properties of (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23875058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).