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

C15H27NO5 — CID 23958694

IUPAC(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@H]1OC(C(=O)NCCOC)=C[C@@H](C)[C@H]1CCCO
InChIInChI=1S/C15H27NO5/c1-4-20-15-12(6-5-8-17)11(2)10-13(21-15)14(18)16-7-9-19-3/h10-12,15,17H,4-9H2,1-3H3,(H,16,18)/t11-,12-,15+/m1/s1
InChIKeyMBPAKJSEVLPGDY-JMSVASOKSA-N
MW301.38 g/mol
LogP1.05
Rot. Bonds9

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

(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23958694) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23958694
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@H]1OC(C(=O)NCCOC)=C[C@@H](C)[C@H]1CCCO
InChIInChI=1S/C15H27NO5/c1-4-20-15-12(6-5-8-17)11(2)10-13(21-15)14(18)16-7-9-19-3/h10-12,15,17H,4-9H2,1-3H3,(H,16,18)/t11-,12-,15+/m1/s1
InChIKeyMBPAKJSEVLPGDY-JMSVASOKSA-N
XLogP1.05
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4R)-4-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23875033
(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23760646
(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6669019
(2R,3R,4S)-4-(4-chlorophenyl)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23874982
(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 23902962
(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-thiophen-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23818478
4-(1-acetylindol-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 4522729
(2R,3R,4S)-4-(1-acetylindol-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 6671168
(2S,3S,4R)-4-(1-acetylindol-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 6671485
(2S,3S,4R)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6667269
(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-[(4-methylphenyl)methyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 58817252
(2R,3S,4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 6671949

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 23958694) is (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@H]1OC(C(=O)NCCOC)=C[C@@H](C)[C@H]1CCCO.
What is the InChIKey of (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is MBPAKJSEVLPGDY-JMSVASOKSA-N. The full InChI is InChI=1S/C15H27NO5/c1-4-20-15-12(6-5-8-17)11(2)10-13(21-15)14(18)16-7-9-19-3/h10-12,15,17H,4-9H2,1-3H3,(H,16,18)/t11-,12-,15+/m1/s1.
What are the key properties of (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 1.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23958694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).