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

C13H23NO4 — CID 23760646

IUPAC(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@H]1OC(C(=O)NC)=C[C@@H](C)[C@@H]1CCCO
InChIInChI=1S/C13H23NO4/c1-4-17-13-10(6-5-7-15)9(2)8-11(18-13)12(16)14-3/h8-10,13,15H,4-7H2,1-3H3,(H,14,16)/t9-,10+,13+/m1/s1
InChIKeySBCXABPYQFZQEH-NRUUGDAUSA-N
MW257.33 g/mol
LogP1.03
Rot. Bonds6

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

(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23760646) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23760646
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@H]1OC(C(=O)NC)=C[C@@H](C)[C@@H]1CCCO
InChIInChI=1S/C13H23NO4/c1-4-17-13-10(6-5-7-15)9(2)8-11(18-13)12(16)14-3/h8-10,13,15H,4-7H2,1-3H3,(H,14,16)/t9-,10+,13+/m1/s1
InChIKeySBCXABPYQFZQEH-NRUUGDAUSA-N
XLogP1.03
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4S)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197023
(2S,3S,4R)-4-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197056
(2R,3R,4S)-4-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 24746734
(2S,3S,4R)-N-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197025
(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197086
(2S,3S,4R)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197168
(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-oxidanylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 24746702
(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 24746728
((2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-3,4-dihydro-2H-pyran-6-yl)(morpholino)methanone
CID 16195870
((2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-3,4-dihydro-2H-pyran-6-yl)(morpholino)methanone
CID 16195872
(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-4-methyl-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197095
(2S,3S,4R)-4-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197164

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 23760646) is (2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@H]1OC(C(=O)NC)=C[C@@H](C)[C@@H]1CCCO.
What is the InChIKey of (2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is SBCXABPYQFZQEH-NRUUGDAUSA-N. The full InChI is InChI=1S/C13H23NO4/c1-4-17-13-10(6-5-7-15)9(2)8-11(18-13)12(16)14-3/h8-10,13,15H,4-7H2,1-3H3,(H,14,16)/t9-,10+,13+/m1/s1.
What are the key properties of (2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 1.03, 6 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)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23760646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).