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

C24H35NO4 — CID 6668160

IUPAC(2R,3S,4S)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@@H]1OC(C(=O)N(C)C2CCCCC2)=C[C@H](c2ccccc2)[C@@H]1CCCO
InChIInChI=1S/C24H35NO4/c1-3-28-24-20(15-10-16-26)21(18-11-6-4-7-12-18)17-22(29-24)23(27)25(2)19-13-8-5-9-14-19/h4,6-7,11-12,17,19-21,24,26H,3,5,8-10,13-16H2,1-2H3/t20-,21+,24+/m0/s1
InChIKeyPFSVYYBQNICNBY-YZUZCNPQSA-N
MW401.55 g/mol
LogP4.23
Rot. Bonds8

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

(2R,3S,4S)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 6668160) has the molecular formula C24H35NO4 and a molecular weight of 401.55 g/mol. Its IUPAC name is (2R,3S,4S)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID6668160
Molecular FormulaC24H35NO4
Molecular Weight401.55 g/mol
Exact Mass401.26
IUPAC Name(2R,3S,4S)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@@H]1OC(C(=O)N(C)C2CCCCC2)=C[C@H](c2ccccc2)[C@@H]1CCCO
InChIInChI=1S/C24H35NO4/c1-3-28-24-20(15-10-16-26)21(18-11-6-4-7-12-18)17-22(29-24)23(27)25(2)19-13-8-5-9-14-19/h4,6-7,11-12,17,19-21,24,26H,3,5,8-10,13-16H2,1-2H3/t20-,21+,24+/m0/s1
InChIKeyPFSVYYBQNICNBY-YZUZCNPQSA-N
XLogP4.23
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4S)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-4-(4-iodophenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23930891
(2S,3R,4R)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-4-(4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23818568
methyl 4-[(2R,3S,4S)-6-[cyclohexyl(methyl)carbamoyl]-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-4-yl]benzoate
CID 6671740
(2R,3R,4S)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6668678
(2R,3R,4S)-N-cyclohexyl-2-ethoxy-4-(4-ethynylphenyl)-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23818468
(2S,3R,4R)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N,4-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23875055
(2R,3R,4S)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 6668146
(2S,3S,4R)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 6668190
(2S,3S,4R)-N-cyclohexyl-2-ethoxy-4-(9H-fluoren-1-yl)-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 6668178
(2R,3R,4S)-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23847036
(2S,3R,4R)-2-ethoxy-3-(3-hydroxypropyl)-N,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23930993
(2R,3S,4S)-4-(4-chlorophenyl)-2-ethoxy-3-(3-hydroxypropyl)-N,N-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23818510

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,3S,4S)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 6668160) is (2R,3S,4S)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,3S,4S)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,3S,4S)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@@H]1OC(C(=O)N(C)C2CCCCC2)=C[C@H](c2ccccc2)[C@@H]1CCCO.
What is the InChIKey of (2R,3S,4S)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is PFSVYYBQNICNBY-YZUZCNPQSA-N. The full InChI is InChI=1S/C24H35NO4/c1-3-28-24-20(15-10-16-26)21(18-11-6-4-7-12-18)17-22(29-24)23(27)25(2)19-13-8-5-9-14-19/h4,6-7,11-12,17,19-21,24,26H,3,5,8-10,13-16H2,1-2H3/t20-,21+,24+/m0/s1.
What are the key properties of (2R,3S,4S)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,3S,4S)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 6668160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).