(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

C23H31NO7 — CID 177449743

IUPAC(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
SMILESCC1CC(=O)O[C@@H](C)[C@H](O)CCC(=O)N(Cc2ccccc2)[C@@H](C)[C@H](O)/C=C/C(=O)O1
InChIInChI=1S/C23H31NO7/c1-15-13-23(29)31-17(3)20(26)9-11-21(27)24(14-18-7-5-4-6-8-18)16(2)19(25)10-12-22(28)30-15/h4-8,10,12,15-17,19-20,25-26H,9,11,13-14H2,1-3H3/b12-10+/t15?,16-,17-,19+,20+/m0/s1
InChIKeyFIKAQSXDFVLPIB-RRTBEFJSSA-N
MW433.50 g/mol
LogP1.73
Rot. Bonds2

About (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

(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 (PubChem CID 177449743) has the molecular formula C23H31NO7 and a molecular weight of 433.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID177449743
Molecular FormulaC23H31NO7
Molecular Weight433.50 g/mol
Exact Mass433.21
IUPAC Name(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
SMILESCC1CC(=O)O[C@@H](C)[C@H](O)CCC(=O)N(Cc2ccccc2)[C@@H](C)[C@H](O)/C=C/C(=O)O1
InChIInChI=1S/C23H31NO7/c1-15-13-23(29)31-17(3)20(26)9-11-21(27)24(14-18-7-5-4-6-8-18)16(2)19(25)10-12-22(28)30-15/h4-8,10,12,15-17,19-20,25-26H,9,11,13-14H2,1-3H3/b12-10+/t15?,16-,17-,19+,20+/m0/s1
InChIKeyFIKAQSXDFVLPIB-RRTBEFJSSA-N
XLogP1.73
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1CC(=O)O[C@@H](C)[C@H](O)CCC(=O)N(Cc2ccccc2)[C@@H](C)[C@H](O)/C=C/C(=O)O1.
What is the InChIKey of (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?
The InChIKey is FIKAQSXDFVLPIB-RRTBEFJSSA-N. The full InChI is InChI=1S/C23H31NO7/c1-15-13-23(29)31-17(3)20(26)9-11-21(27)24(14-18-7-5-4-6-8-18)16(2)19(25)10-12-22(28)30-15/h4-8,10,12,15-17,19-20,25-26H,9,11,13-14H2,1-3H3/b12-10+/t15?,16-,17-,19+,20+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 433.50 g/mol, XLogP of 1.73, 2 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)-11-benzyl-9,15-dihydroxy-4,10,16-trimethyl-1,5-dioxa-11-azacyclohexadec-7-ene-2,6,12-trione is sourced from PubChem (CID 177449743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).