(3R,7Z,9R,10R,14S)-10-methoxy-9,14-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione

C23H31NO7 — CID 16758289

IUPAC(3R,7Z,9R,10R,14S)-10-methoxy-9,14-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione
SMILESCO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](COCc2ccccc2)NC(=O)C/C=C\[C@H]1C
InChIInChI=1S/C23H31NO7/c1-16-8-7-11-21(25)24-19(14-29-13-18-9-5-4-6-10-18)23(27)30-12-17(2)22(26)31-15-20(16)28-3/h4-10,16-17,19-20H,11-15H2,1-3H3,(H,24,25)/b8-7-/t16-,17+,19-,20+/m1/s1
InChIKeyBYRBRRVPQFPPQY-HLOGUZDPSA-N
MW433.50 g/mol
LogP2.02
Rot. Bonds5

About (3R,7Z,9R,10R,14S)-10-methoxy-9,14-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione

(3R,7Z,9R,10R,14S)-10-methoxy-9,14-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione (PubChem CID 16758289) has the molecular formula C23H31NO7 and a molecular weight of 433.50 g/mol. Its IUPAC name is (3R,7Z,9R,10R,14S)-10-methoxy-9,14-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione.

Molecular Properties

Compound Name(3R,7Z,9R,10R,14S)-10-methoxy-9,14-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione
PubChem CID16758289
Molecular FormulaC23H31NO7
Molecular Weight433.50 g/mol
Exact Mass433.21
IUPAC Name(3R,7Z,9R,10R,14S)-10-methoxy-9,14-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione
SMILESCO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](COCc2ccccc2)NC(=O)C/C=C\[C@H]1C
InChIInChI=1S/C23H31NO7/c1-16-8-7-11-21(25)24-19(14-29-13-18-9-5-4-6-10-18)23(27)30-12-17(2)22(26)31-15-20(16)28-3/h4-10,16-17,19-20H,11-15H2,1-3H3,(H,24,25)/b8-7-/t16-,17+,19-,20+/m1/s1
InChIKeyBYRBRRVPQFPPQY-HLOGUZDPSA-N
XLogP2.02
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R,7Z,9R,10R,14S)-10-methoxy-9,14-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione with MolForge

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

Launch Full Analysis

Related Compounds

(3S,9R,10S,17R,18S)-10,18-dimethoxy-9,17-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclononadeca-7,15-diene-2,5,13-trione
CID 6636501
(3S,7Z,9R,10S,15Z,17R,18S)-10,18-dimethoxy-9,17-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclononadeca-7,15-diene-2,5,13-trione
CID 16758254
(3S,7E,9R,10S,14S,18E,20R)-3-benzyl-10,21-dimethoxy-9,14,20-trimethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-tetrone
CID 126480079
(3S,9S,10R,17R)-10-methoxy-9,17-dimethyl-3-(2-methylsulfanylethyl)-1,12-dioxa-4-azacyclooctadeca-7,15-diene-2,5,13-trione
CID 6636483
3-methyl-6-(phenylmethoxymethyl)-1,4-dioxane-2,5-dione
CID 72570381
(3R)-3-(phenylmethoxymethyl)piperazine-2,5-dione
CID 69212263
(6S)-3-methyl-6-(phenylmethoxymethyl)-1,4-dioxane-2,5-dione
CID 59819056
(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10680435
(4R,4aS,6S,7S,7aS)-6-hydroxy-4-methyl-7-(phenylmethoxymethyl)-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
CID 11254785
(3S,7E,9R,13S,17E,19R)-9,19-dimethyl-3,13-bis(2-methylsulfanylethyl)-1,11-dioxa-4,14-diazacycloicosa-7,17-diene-2,5,12,15-tetrone
CID 6419651
(2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one
CID 130283628
(3R,4S)-3-methyl-4-(phenylmethoxymethyl)oxetan-2-one
CID 134988868

Frequently Asked Questions

What is the IUPAC name of (3R,7Z,9R,10R,14S)-10-methoxy-9,14-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione?
The IUPAC name of (3R,7Z,9R,10R,14S)-10-methoxy-9,14-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione (CID 16758289) is (3R,7Z,9R,10R,14S)-10-methoxy-9,14-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione.
What is the SMILES notation for (3R,7Z,9R,10R,14S)-10-methoxy-9,14-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione?
The canonical SMILES for (3R,7Z,9R,10R,14S)-10-methoxy-9,14-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione is CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](COCc2ccccc2)NC(=O)C/C=C\[C@H]1C.
What is the InChIKey of (3R,7Z,9R,10R,14S)-10-methoxy-9,14-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione?
The InChIKey is BYRBRRVPQFPPQY-HLOGUZDPSA-N. The full InChI is InChI=1S/C23H31NO7/c1-16-8-7-11-21(25)24-19(14-29-13-18-9-5-4-6-10-18)23(27)30-12-17(2)22(26)31-15-20(16)28-3/h4-10,16-17,19-20H,11-15H2,1-3H3,(H,24,25)/b8-7-/t16-,17+,19-,20+/m1/s1.
What are the key properties of (3R,7Z,9R,10R,14S)-10-methoxy-9,14-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione?
(3R,7Z,9R,10R,14S)-10-methoxy-9,14-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione has a molecular weight of 433.50 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7Z,9R,10R,14S)-10-methoxy-9,14-dimethyl-3-(phenylmethoxymethyl)-1,12-dioxa-4-azacyclopentadec-7-ene-2,5,13-trione is sourced from PubChem (CID 16758289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).