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

C19H33NO4 — CID 23875055

IUPAC(2S,3R,4R)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@H]1OC(C(=O)N(C)C2CCCCC2)=C[C@@H](C)[C@H]1CCCO
InChIInChI=1S/C19H33NO4/c1-4-23-19-16(11-8-12-21)14(2)13-17(24-19)18(22)20(3)15-9-6-5-7-10-15/h13-16,19,21H,4-12H2,1-3H3/t14-,16-,19+/m1/s1
InChIKeyIMEOZQSYIZPADW-OGWOLHLISA-N
MW339.48 g/mol
LogP3.08
Rot. Bonds7

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

(2S,3R,4R)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23875055) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is (2S,3R,4R)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,3R,4R)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23875055
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC Name(2S,3R,4R)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@H]1OC(C(=O)N(C)C2CCCCC2)=C[C@@H](C)[C@H]1CCCO
InChIInChI=1S/C19H33NO4/c1-4-23-19-16(11-8-12-21)14(2)13-17(24-19)18(22)20(3)15-9-6-5-7-10-15/h13-16,19,21H,4-12H2,1-3H3/t14-,16-,19+/m1/s1
InChIKeyIMEOZQSYIZPADW-OGWOLHLISA-N
XLogP3.08
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,3R,4R)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 23875055) is (2S,3R,4R)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,3R,4R)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,3R,4R)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@H]1OC(C(=O)N(C)C2CCCCC2)=C[C@@H](C)[C@H]1CCCO.
What is the InChIKey of (2S,3R,4R)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is IMEOZQSYIZPADW-OGWOLHLISA-N. The full InChI is InChI=1S/C19H33NO4/c1-4-23-19-16(11-8-12-21)14(2)13-17(24-19)18(22)20(3)15-9-6-5-7-10-15/h13-16,19,21H,4-12H2,1-3H3/t14-,16-,19+/m1/s1.
What are the key properties of (2S,3R,4R)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,3R,4R)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23875055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).