(7E,9R,10S,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione

C24H33NO7 — CID 177444052

IUPAC(7E,9R,10S,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione
SMILESCC1CC(=O)O[C@@H](C)[C@H](O)CCC(=O)N(CCc2ccccc2)[C@@H](C)[C@H](O)/C=C/C(=O)O1
InChIInChI=1S/C24H33NO7/c1-16-15-24(30)32-18(3)21(27)9-11-22(28)25(14-13-19-7-5-4-6-8-19)17(2)20(26)10-12-23(29)31-16/h4-8,10,12,16-18,20-21,26-27H,9,11,13-15H2,1-3H3/b12-10+/t16?,17-,18-,20+,21+/m0/s1
InChIKeyZJPZNASUQVZRHE-VKDVOLETSA-N
MW447.53 g/mol
LogP1.77
Rot. Bonds3

About (7E,9R,10S,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione

(7E,9R,10S,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione (PubChem CID 177444052) has the molecular formula C24H33NO7 and a molecular weight of 447.53 g/mol. Its IUPAC name is (7E,9R,10S,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione.

Molecular Properties

Compound Name(7E,9R,10S,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione
PubChem CID177444052
Molecular FormulaC24H33NO7
Molecular Weight447.53 g/mol
Exact Mass447.23
IUPAC Name(7E,9R,10S,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione
SMILESCC1CC(=O)O[C@@H](C)[C@H](O)CCC(=O)N(CCc2ccccc2)[C@@H](C)[C@H](O)/C=C/C(=O)O1
InChIInChI=1S/C24H33NO7/c1-16-15-24(30)32-18(3)21(27)9-11-22(28)25(14-13-19-7-5-4-6-8-19)17(2)20(26)10-12-23(29)31-16/h4-8,10,12,16-18,20-21,26-27H,9,11,13-15H2,1-3H3/b12-10+/t16?,17-,18-,20+,21+/m0/s1
InChIKeyZJPZNASUQVZRHE-VKDVOLETSA-N
XLogP1.77
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.53
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (7E,9R,10S,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione with MolForge

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Related Compounds

N-((e,3s,4r)-5-benzylidene-tetrahydro-4-hydroxy-6-oxo-2h-pyran-3-yl) palmitamide
CID 129845524
(4S)-4-benzyl-3-[2-[(1S)-1-hydroxy-2-prop-2-enoxyethyl]but-2-enoyl]-1,3-oxazolidin-2-one
CID 54515542
(4S,7E,9R,10S,13E,15R,16S)-11-benzyl-9,15-dihydroxy-4,10,16-trimethyl-1,5-dioxa-11-azacyclohexadeca-7,13-diene-2,6,12-trione
CID 54763704
(4S,7E,9R,10S,13E,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadeca-7,13-diene-2,6,12-trione
CID 54763705
(2S,6S,7R,8E,12S,13R,14E)-5-benzyl-7,13-dihydroxy-2,6,12-trimethyl-1,11-dioxa-5-azacyclohexadeca-8,14-diene-4,10,16-trione
CID 54763805
(4S,7E,9R,10S,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione
CID 56926345
(4S,7E,9R,10S,15R,16S)-11-benzyl-9,15-dihydroxy-4,10,16-trimethyl-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione
CID 56926346
(7E,9R,10S,15R,16S)-11-benzyl-9,15-dihydroxy-4,10,16-trimethyl-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione
CID 177449743

Frequently Asked Questions

What is the IUPAC name of (7E,9R,10S,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione?
The IUPAC name of (7E,9R,10S,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione (CID 177444052) is (7E,9R,10S,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione.
What is the SMILES notation for (7E,9R,10S,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione?
The canonical SMILES for (7E,9R,10S,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione is CC1CC(=O)O[C@@H](C)[C@H](O)CCC(=O)N(CCc2ccccc2)[C@@H](C)[C@H](O)/C=C/C(=O)O1.
What is the InChIKey of (7E,9R,10S,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione?
The InChIKey is ZJPZNASUQVZRHE-VKDVOLETSA-N. The full InChI is InChI=1S/C24H33NO7/c1-16-15-24(30)32-18(3)21(27)9-11-22(28)25(14-13-19-7-5-4-6-8-19)17(2)20(26)10-12-23(29)31-16/h4-8,10,12,16-18,20-21,26-27H,9,11,13-15H2,1-3H3/b12-10+/t16?,17-,18-,20+,21+/m0/s1.
What are the key properties of (7E,9R,10S,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione?
(7E,9R,10S,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione has a molecular weight of 447.53 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,9R,10S,15R,16S)-9,15-dihydroxy-4,10,16-trimethyl-11-(2-phenylethyl)-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione is sourced from PubChem (CID 177444052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).