(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

C24H33NO7 — CID 56926345

IUPAC(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
SMILESC[C@@H]1OC(=O)C[C@H](C)OC(=O)/C=C/[C@@H](O)[C@H](C)N(CCc2ccccc2)C(=O)CC[C@H]1O
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-CXJMYNIQSA-N
MW447.53 g/mol
LogP1.77
Rot. Bonds3

About (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

(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 (PubChem CID 56926345) has the molecular formula C24H33NO7 and a molecular weight of 447.53 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID56926345
Molecular FormulaC24H33NO7
Molecular Weight447.53 g/mol
Exact Mass447.23
IUPAC Name(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
SMILESC[C@@H]1OC(=O)C[C@H](C)OC(=O)/C=C/[C@@H](O)[C@H](C)N(CCc2ccccc2)C(=O)CC[C@H]1O
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-CXJMYNIQSA-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 (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1OC(=O)C[C@H](C)OC(=O)/C=C/[C@@H](O)[C@H](C)N(CCc2ccccc2)C(=O)CC[C@H]1O.
What is the InChIKey of (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?
The InChIKey is ZJPZNASUQVZRHE-CXJMYNIQSA-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 (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?
(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 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 (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 is sourced from PubChem (CID 56926345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).