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

C22H31NO5 — CID 23760624

IUPAC(2R,3S,4S)-N-cyclobutyl-2-ethoxy-3-(3-hydroxypropyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@@H]1OC(C(=O)NC2CCC2)=C[C@H](c2ccc(OC)cc2)[C@@H]1CCCO
InChIInChI=1S/C22H31NO5/c1-3-27-22-18(8-5-13-24)19(15-9-11-17(26-2)12-10-15)14-20(28-22)21(25)23-16-6-4-7-16/h9-12,14,16,18-19,22,24H,3-8,13H2,1-2H3,(H,23,25)/t18-,19+,22+/m0/s1
InChIKeyQMMSRPZIGBHLLI-NNMXDRDESA-N
MW389.49 g/mol
LogP3.11
Rot. Bonds9

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

(2R,3S,4S)-N-cyclobutyl-2-ethoxy-3-(3-hydroxypropyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23760624) has the molecular formula C22H31NO5 and a molecular weight of 389.49 g/mol. Its IUPAC name is (2R,3S,4S)-N-cyclobutyl-2-ethoxy-3-(3-hydroxypropyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S)-N-cyclobutyl-2-ethoxy-3-(3-hydroxypropyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23760624
Molecular FormulaC22H31NO5
Molecular Weight389.49 g/mol
Exact Mass389.22
IUPAC Name(2R,3S,4S)-N-cyclobutyl-2-ethoxy-3-(3-hydroxypropyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@@H]1OC(C(=O)NC2CCC2)=C[C@H](c2ccc(OC)cc2)[C@@H]1CCCO
InChIInChI=1S/C22H31NO5/c1-3-27-22-18(8-5-13-24)19(15-9-11-17(26-2)12-10-15)14-20(28-22)21(25)23-16-6-4-7-16/h9-12,14,16,18-19,22,24H,3-8,13H2,1-2H3,(H,23,25)/t18-,19+,22+/m0/s1
InChIKeyQMMSRPZIGBHLLI-NNMXDRDESA-N
XLogP3.11
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-N-cyclobutyl-2-ethoxy-3-(3-hydroxypropyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,3S,4S)-N-cyclobutyl-2-ethoxy-3-(3-hydroxypropyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 23760624) is (2R,3S,4S)-N-cyclobutyl-2-ethoxy-3-(3-hydroxypropyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,3S,4S)-N-cyclobutyl-2-ethoxy-3-(3-hydroxypropyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,3S,4S)-N-cyclobutyl-2-ethoxy-3-(3-hydroxypropyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@@H]1OC(C(=O)NC2CCC2)=C[C@H](c2ccc(OC)cc2)[C@@H]1CCCO.
What is the InChIKey of (2R,3S,4S)-N-cyclobutyl-2-ethoxy-3-(3-hydroxypropyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is QMMSRPZIGBHLLI-NNMXDRDESA-N. The full InChI is InChI=1S/C22H31NO5/c1-3-27-22-18(8-5-13-24)19(15-9-11-17(26-2)12-10-15)14-20(28-22)21(25)23-16-6-4-7-16/h9-12,14,16,18-19,22,24H,3-8,13H2,1-2H3,(H,23,25)/t18-,19+,22+/m0/s1.
What are the key properties of (2R,3S,4S)-N-cyclobutyl-2-ethoxy-3-(3-hydroxypropyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,3S,4S)-N-cyclobutyl-2-ethoxy-3-(3-hydroxypropyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 389.49 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-N-cyclobutyl-2-ethoxy-3-(3-hydroxypropyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23760624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).