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

C21H35NO4 — CID 23986573

IUPAC(2S,3R,4R)-4-cyclobutyl-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@H]1OC(C(=O)NC2CCCCC2)=C[C@@H](C2CCC2)[C@H]1CCCO
InChIInChI=1S/C21H35NO4/c1-2-25-21-17(12-7-13-23)18(15-8-6-9-15)14-19(26-21)20(24)22-16-10-4-3-5-11-16/h14-18,21,23H,2-13H2,1H3,(H,22,24)/t17-,18+,21+/m1/s1
InChIKeyCWJAQZSELJBCHJ-LQWHRVPQSA-N
MW365.51 g/mol
LogP3.52
Rot. Bonds8

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

(2S,3R,4R)-4-cyclobutyl-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23986573) has the molecular formula C21H35NO4 and a molecular weight of 365.51 g/mol. Its IUPAC name is (2S,3R,4R)-4-cyclobutyl-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,3R,4R)-4-cyclobutyl-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23986573
Molecular FormulaC21H35NO4
Molecular Weight365.51 g/mol
Exact Mass365.26
IUPAC Name(2S,3R,4R)-4-cyclobutyl-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@H]1OC(C(=O)NC2CCCCC2)=C[C@@H](C2CCC2)[C@H]1CCCO
InChIInChI=1S/C21H35NO4/c1-2-25-21-17(12-7-13-23)18(15-8-6-9-15)14-19(26-21)20(24)22-16-10-4-3-5-11-16/h14-18,21,23H,2-13H2,1H3,(H,22,24)/t17-,18+,21+/m1/s1
InChIKeyCWJAQZSELJBCHJ-LQWHRVPQSA-N
XLogP3.52
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,4R)-4-cyclohexyl-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23986578
(2R,3S,4S)-4-cyclohexyl-N-(cyclopropylmethyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23930918
(2R,3R,4S)-4-tert-butyl-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23847029
(2R,3R,4S)-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23847036
[(2R,3S,4S)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone
CID 23958648
[(2S,3S,4R)-4-cyclobutyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-piperidin-1-ylmethanone
CID 23789642
(2R,3S,4S)-4-(4-chlorophenyl)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23902897
[(2R,3R,4S)-4-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone
CID 23930869
prop-2-enyl (2S,3S,4R)-4-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylate
CID 23986541
(2R,3S,4S)-N-cyclobutyl-2-ethoxy-3-(3-hydroxypropyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23760624
(2R,3S,4S)-N-cyclohexyl-2-ethoxy-4-(4-ethynylphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23789611
prop-2-enyl (2S,3R,4R)-4-cyclobutyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylate
CID 23902952

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-4-cyclobutyl-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,3R,4R)-4-cyclobutyl-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 23986573) is (2S,3R,4R)-4-cyclobutyl-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,3R,4R)-4-cyclobutyl-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,3R,4R)-4-cyclobutyl-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@H]1OC(C(=O)NC2CCCCC2)=C[C@@H](C2CCC2)[C@H]1CCCO.
What is the InChIKey of (2S,3R,4R)-4-cyclobutyl-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is CWJAQZSELJBCHJ-LQWHRVPQSA-N. The full InChI is InChI=1S/C21H35NO4/c1-2-25-21-17(12-7-13-23)18(15-8-6-9-15)14-19(26-21)20(24)22-16-10-4-3-5-11-16/h14-18,21,23H,2-13H2,1H3,(H,22,24)/t17-,18+,21+/m1/s1.
What are the key properties of (2S,3R,4R)-4-cyclobutyl-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,3R,4R)-4-cyclobutyl-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 365.51 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-4-cyclobutyl-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23986573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).