(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide

C15H23NO4 — CID 24746728

IUPAC(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESC#CCNC(=O)C1=C[C@@H](C)[C@H](CCCO)[C@@H](OCC)O1
InChIInChI=1S/C15H23NO4/c1-4-8-16-14(18)13-10-11(3)12(7-6-9-17)15(20-13)19-5-2/h1,10-12,15,17H,5-9H2,2-3H3,(H,16,18)/t11-,12+,15+/m1/s1
InChIKeyLBVFVAMICIVAMZ-XUJVJEKNSA-N
MW281.35 g/mol
LogP1.04
Rot. Bonds7

About (2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide

(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 24746728) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID24746728
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESC#CCNC(=O)C1=C[C@@H](C)[C@H](CCCO)[C@@H](OCC)O1
InChIInChI=1S/C15H23NO4/c1-4-8-16-14(18)13-10-11(3)12(7-6-9-17)15(20-13)19-5-2/h1,10-12,15,17H,5-9H2,2-3H3,(H,16,18)/t11-,12+,15+/m1/s1
InChIKeyLBVFVAMICIVAMZ-XUJVJEKNSA-N
XLogP1.04
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 24746728) is (2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide is C#CCNC(=O)C1=C[C@@H](C)[C@H](CCCO)[C@@H](OCC)O1.
What is the InChIKey of (2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is LBVFVAMICIVAMZ-XUJVJEKNSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-8-16-14(18)13-10-11(3)12(7-6-9-17)15(20-13)19-5-2/h1,10-12,15,17H,5-9H2,2-3H3,(H,16,18)/t11-,12+,15+/m1/s1.
What are the key properties of (2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 281.35 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 24746728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).