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

C24H35NO4 — CID 23958707

IUPAC(2S,3R,4R)-N-benzyl-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@H]1OC(C(=O)NCc2ccccc2)=C[C@@H](C2CCCCC2)[C@H]1CCCO
InChIInChI=1S/C24H35NO4/c1-2-28-24-20(14-9-15-26)21(19-12-7-4-8-13-19)16-22(29-24)23(27)25-17-18-10-5-3-6-11-18/h3,5-6,10-11,16,19-21,24,26H,2,4,7-9,12-15,17H2,1H3,(H,25,27)/t20-,21+,24+/m1/s1
InChIKeyOVGPSTMSQDBZRQ-DPLHUUCSSA-N
MW401.55 g/mol
LogP4.16
Rot. Bonds9

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

(2S,3R,4R)-N-benzyl-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23958707) has the molecular formula C24H35NO4 and a molecular weight of 401.55 g/mol. Its IUPAC name is (2S,3R,4R)-N-benzyl-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,3R,4R)-N-benzyl-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23958707
Molecular FormulaC24H35NO4
Molecular Weight401.55 g/mol
Exact Mass401.26
IUPAC Name(2S,3R,4R)-N-benzyl-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@H]1OC(C(=O)NCc2ccccc2)=C[C@@H](C2CCCCC2)[C@H]1CCCO
InChIInChI=1S/C24H35NO4/c1-2-28-24-20(14-9-15-26)21(19-12-7-4-8-13-19)16-22(29-24)23(27)25-17-18-10-5-3-6-11-18/h3,5-6,10-11,16,19-21,24,26H,2,4,7-9,12-15,17H2,1H3,(H,25,27)/t20-,21+,24+/m1/s1
InChIKeyOVGPSTMSQDBZRQ-DPLHUUCSSA-N
XLogP4.16
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4S)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-N-(2-phenylethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23902844
(2R,3S,4S)-4-cyclohexyl-N-(cyclopropylmethyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23930918
(2S,3R,4R)-4-cyclohexyl-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23986578
(2S,3R,4R)-N-(1H-benzimidazol-2-ylmethyl)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23875065
(2S,3R,4R)-4-cyclobutyl-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23986573
(2S,3R,4R)-N-benzyl-4-(4-chlorophenyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23847145
(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)-2-ethoxy-3-(3-hydroxypropyl)-N-[(4-methylphenyl)methyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 58817252
[(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)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone
CID 23930869
(2R,3R,4S)-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23847036
(2S,3R,4R)-4-(1-benzothiophen-3-yl)-N-benzyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23789697

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-N-benzyl-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,3R,4R)-N-benzyl-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 23958707) is (2S,3R,4R)-N-benzyl-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,3R,4R)-N-benzyl-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,3R,4R)-N-benzyl-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@H]1OC(C(=O)NCc2ccccc2)=C[C@@H](C2CCCCC2)[C@H]1CCCO.
What is the InChIKey of (2S,3R,4R)-N-benzyl-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is OVGPSTMSQDBZRQ-DPLHUUCSSA-N. The full InChI is InChI=1S/C24H35NO4/c1-2-28-24-20(14-9-15-26)21(19-12-7-4-8-13-19)16-22(29-24)23(27)25-17-18-10-5-3-6-11-18/h3,5-6,10-11,16,19-21,24,26H,2,4,7-9,12-15,17H2,1H3,(H,25,27)/t20-,21+,24+/m1/s1.
What are the key properties of (2S,3R,4R)-N-benzyl-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,3R,4R)-N-benzyl-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-N-benzyl-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23958707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).