(1R,2R)-15-hydroxy-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione

C22H22N2O5 — CID 134573086

IUPAC(1R,2R)-15-hydroxy-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione
SMILESO=C1c2c(OCc3ccccc3)c(=O)cc3n2[C@H](CC3O)[C@H]2OC3CCC(C3)N12
InChIInChI=1S/C22H22N2O5/c25-17-10-16-22-23(13-6-7-14(8-13)29-22)21(27)19-20(18(26)9-15(17)24(16)19)28-11-12-4-2-1-3-5-12/h1-5,9,13-14,16-17,22,25H,6-8,10-11H2/t13?,14?,16-,17?,22-/m1/s1
InChIKeyKAIRPKVLMVIZSI-UFARQNQASA-N
MW394.43 g/mol
LogP2.14
Rot. Bonds3

About (1R,2R)-15-hydroxy-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione

(1R,2R)-15-hydroxy-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione (PubChem CID 134573086) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is (1R,2R)-15-hydroxy-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione.

Molecular Properties

Compound Name(1R,2R)-15-hydroxy-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione
PubChem CID134573086
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name(1R,2R)-15-hydroxy-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione
SMILESO=C1c2c(OCc3ccccc3)c(=O)cc3n2[C@H](CC3O)[C@H]2OC3CCC(C3)N12
InChIInChI=1S/C22H22N2O5/c25-17-10-16-22-23(13-6-7-14(8-13)29-22)21(27)19-20(18(26)9-15(17)24(16)19)28-11-12-4-2-1-3-5-12/h1-5,9,13-14,16-17,22,25H,6-8,10-11H2/t13?,14?,16-,17?,22-/m1/s1
InChIKeyKAIRPKVLMVIZSI-UFARQNQASA-N
XLogP2.14
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R,2R)-15-hydroxy-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione with MolForge

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Related Compounds

5-phenylmethoxy-12-oxa-2,9-diazatetracyclo[11.3.1.02,11.04,9]heptadeca-4,7-diene-3,6-dione
CID 144808615
11-phenylmethoxy-3-oxa-8,17-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-10,13-diene-9,12-dione
CID 134573016
3-aminocyclopentan-1-ol;N-[(2,4-difluorophenyl)methyl]-9,12-dioxo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;N-[(2,4-difluorophenyl)methyl]-11-hydroxy-9,12-dioxo-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide;13-iodo-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione;methyl 3-formyl-7-oxo-6-phenylmethoxy-2,3-dihydro-1H-indolizine-5-carboxylate;11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione
CID 157441199
6-[(Z)-pent-3-en-2-yl]-9-phenylmethoxy-6,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),8-diene-7,10-dione
CID 156840873
3-hydroxy-10-(2-methoxyethyl)-7-phenylmethoxy-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-6,9-dione
CID 153312163
10-phenylmethoxy-4-oxa-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-8,11-dione
CID 123782779
7-methyl-11-phenylmethoxy-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 76737494
(1R,2R)-N-[(2,4-difluorophenyl)methyl]-15-(ethylamino)-11-methoxy-9,12-dioxo-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-13-carboxamide
CID 146182449
2,6-bis(hydroxymethyl)-3-phenylmethoxypyran-4-one
CID 18428308
N-cyclohexyl-1-cyclopropyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 59708517
(3R)-10-phenylmethoxy-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
CID 58015337
1-(8-oxabicyclo[3.2.1]octan-3-yl)-2-(3-phenylmethoxyphenyl)ethanone
CID 171939430

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-15-hydroxy-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione?
The IUPAC name of (1R,2R)-15-hydroxy-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione (CID 134573086) is (1R,2R)-15-hydroxy-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione.
What is the SMILES notation for (1R,2R)-15-hydroxy-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione?
The canonical SMILES for (1R,2R)-15-hydroxy-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione is O=C1c2c(OCc3ccccc3)c(=O)cc3n2[C@H](CC3O)[C@H]2OC3CCC(C3)N12.
What is the InChIKey of (1R,2R)-15-hydroxy-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione?
The InChIKey is KAIRPKVLMVIZSI-UFARQNQASA-N. The full InChI is InChI=1S/C22H22N2O5/c25-17-10-16-22-23(13-6-7-14(8-13)29-22)21(27)19-20(18(26)9-15(17)24(16)19)28-11-12-4-2-1-3-5-12/h1-5,9,13-14,16-17,22,25H,6-8,10-11H2/t13?,14?,16-,17?,22-/m1/s1.
What are the key properties of (1R,2R)-15-hydroxy-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione?
(1R,2R)-15-hydroxy-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione has a molecular weight of 394.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-15-hydroxy-11-phenylmethoxy-3-oxa-8,17-diazapentacyclo[8.6.1.14,7.02,8.014,17]octadeca-10,13-diene-9,12-dione is sourced from PubChem (CID 134573086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).