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

C24H35NO4 — CID 23902844

IUPAC(2R,3R,4S)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-N-(2-phenylethyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@@H]1OC(C(=O)NCCc2ccccc2)=C[C@H](C2CCCC2)[C@H]1CCCO
InChIInChI=1S/C24H35NO4/c1-2-28-24-20(13-8-16-26)21(19-11-6-7-12-19)17-22(29-24)23(27)25-15-14-18-9-4-3-5-10-18/h3-5,9-10,17,19-21,24,26H,2,6-8,11-16H2,1H3,(H,25,27)/t20-,21-,24-/m1/s1
InChIKeyASRDNTBHGQBEJV-PQNGQFLHSA-N
MW401.55 g/mol
LogP3.82
Rot. Bonds10

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

(2R,3R,4S)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-N-(2-phenylethyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23902844) has the molecular formula C24H35NO4 and a molecular weight of 401.55 g/mol. Its IUPAC name is (2R,3R,4S)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-N-(2-phenylethyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,3R,4S)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-N-(2-phenylethyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23902844
Molecular FormulaC24H35NO4
Molecular Weight401.55 g/mol
Exact Mass401.26
IUPAC Name(2R,3R,4S)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-N-(2-phenylethyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@@H]1OC(C(=O)NCCc2ccccc2)=C[C@H](C2CCCC2)[C@H]1CCCO
InChIInChI=1S/C24H35NO4/c1-2-28-24-20(13-8-16-26)21(19-11-6-7-12-19)17-22(29-24)23(27)25-15-14-18-9-4-3-5-10-18/h3-5,9-10,17,19-21,24,26H,2,6-8,11-16H2,1H3,(H,25,27)/t20-,21-,24-/m1/s1
InChIKeyASRDNTBHGQBEJV-PQNGQFLHSA-N
XLogP3.82
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,4R)-N-benzyl-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23958707
(2S,3R,4R)-4-cyclohexyl-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23986578
(2S,3S,4R)-4-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23875033
(2S,3R,4R)-4-cyclobutyl-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23986573
(2R,3R,4S)-2-ethoxy-4-(4-fluorophenyl)-3-(3-hydroxypropyl)-N-(2-phenylethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23930886
(2S,3R,4R)-N-(1H-benzimidazol-2-ylmethyl)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23875065
(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-phenylethyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23958639
(2R,3S,4S)-4-(1-acetylindol-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-phenylethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23818522
[(2R,3R,4S)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone
CID 23930869
[(2R,3S,4S)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone
CID 23958648
(2R,3R,4S)-2-ethoxy-3-(3-hydroxypropyl)-N-(2-methoxyethyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6669019
prop-2-enyl (2S,3S,4R)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylate
CID 23986541

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-N-(2-phenylethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,3R,4S)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-N-(2-phenylethyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 23902844) is (2R,3R,4S)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-N-(2-phenylethyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,3R,4S)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-N-(2-phenylethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,3R,4S)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-N-(2-phenylethyl)-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@@H]1OC(C(=O)NCCc2ccccc2)=C[C@H](C2CCCC2)[C@H]1CCCO.
What is the InChIKey of (2R,3R,4S)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-N-(2-phenylethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is ASRDNTBHGQBEJV-PQNGQFLHSA-N. The full InChI is InChI=1S/C24H35NO4/c1-2-28-24-20(13-8-16-26)21(19-11-6-7-12-19)17-22(29-24)23(27)25-15-14-18-9-4-3-5-10-18/h3-5,9-10,17,19-21,24,26H,2,6-8,11-16H2,1H3,(H,25,27)/t20-,21-,24-/m1/s1.
What are the key properties of (2R,3R,4S)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-N-(2-phenylethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,3R,4S)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-N-(2-phenylethyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 3.82, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-N-(2-phenylethyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23902844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).