(10R,11S,13S,16R,17S)-17-acetyl-13-methoxy-15-methyl-14-oxa-1-azatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8-tetraen-12-one

C19H21NO4 — CID 71057053

IUPAC(10R,11S,13S,16R,17S)-17-acetyl-13-methoxy-15-methyl-14-oxa-1-azatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8-tetraen-12-one
SMILESCO[C@H]1OC(C)[C@@H]2[C@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@@H]2C(C)=O
InChIInChI=1S/C19H21NO4/c1-10(21)17-15-11(2)24-19(23-3)18(22)16(15)14-9-8-12-6-4-5-7-13(12)20(14)17/h4-9,11,14-17,19H,1-3H3/t11?,14-,15-,16-,17-,19+/m1/s1
InChIKeyAEDXWCXNJMBPBQ-CCKPKMAASA-N
MW327.38 g/mol
LogP2.05
Rot. Bonds2

About (10R,11S,13S,16R,17S)-17-acetyl-13-methoxy-15-methyl-14-oxa-1-azatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8-tetraen-12-one

(10R,11S,13S,16R,17S)-17-acetyl-13-methoxy-15-methyl-14-oxa-1-azatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8-tetraen-12-one (PubChem CID 71057053) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (10R,11S,13S,16R,17S)-17-acetyl-13-methoxy-15-methyl-14-oxa-1-azatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8-tetraen-12-one.

Molecular Properties

Compound Name(10R,11S,13S,16R,17S)-17-acetyl-13-methoxy-15-methyl-14-oxa-1-azatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8-tetraen-12-one
PubChem CID71057053
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(10R,11S,13S,16R,17S)-17-acetyl-13-methoxy-15-methyl-14-oxa-1-azatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8-tetraen-12-one
SMILESCO[C@H]1OC(C)[C@@H]2[C@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@@H]2C(C)=O
InChIInChI=1S/C19H21NO4/c1-10(21)17-15-11(2)24-19(23-3)18(22)16(15)14-9-8-12-6-4-5-7-13(12)20(14)17/h4-9,11,14-17,19H,1-3H3/t11?,14-,15-,16-,17-,19+/m1/s1
InChIKeyAEDXWCXNJMBPBQ-CCKPKMAASA-N
XLogP2.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (10R,11S,13S,16R,17S)-17-acetyl-13-methoxy-15-methyl-14-oxa-1-azatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8-tetraen-12-one 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 (10R,11S,13S,16R,17S)-17-acetyl-13-methoxy-15-methyl-14-oxa-1-azatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8-tetraen-12-one?
The IUPAC name of (10R,11S,13S,16R,17S)-17-acetyl-13-methoxy-15-methyl-14-oxa-1-azatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8-tetraen-12-one (CID 71057053) is (10R,11S,13S,16R,17S)-17-acetyl-13-methoxy-15-methyl-14-oxa-1-azatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8-tetraen-12-one.
What is the SMILES notation for (10R,11S,13S,16R,17S)-17-acetyl-13-methoxy-15-methyl-14-oxa-1-azatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8-tetraen-12-one?
The canonical SMILES for (10R,11S,13S,16R,17S)-17-acetyl-13-methoxy-15-methyl-14-oxa-1-azatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8-tetraen-12-one is CO[C@H]1OC(C)[C@@H]2[C@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@@H]2C(C)=O.
What is the InChIKey of (10R,11S,13S,16R,17S)-17-acetyl-13-methoxy-15-methyl-14-oxa-1-azatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8-tetraen-12-one?
The InChIKey is AEDXWCXNJMBPBQ-CCKPKMAASA-N. The full InChI is InChI=1S/C19H21NO4/c1-10(21)17-15-11(2)24-19(23-3)18(22)16(15)14-9-8-12-6-4-5-7-13(12)20(14)17/h4-9,11,14-17,19H,1-3H3/t11?,14-,15-,16-,17-,19+/m1/s1.
What are the key properties of (10R,11S,13S,16R,17S)-17-acetyl-13-methoxy-15-methyl-14-oxa-1-azatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8-tetraen-12-one?
(10R,11S,13S,16R,17S)-17-acetyl-13-methoxy-15-methyl-14-oxa-1-azatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8-tetraen-12-one has a molecular weight of 327.38 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,11S,13S,16R,17S)-17-acetyl-13-methoxy-15-methyl-14-oxa-1-azatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8-tetraen-12-one is sourced from PubChem (CID 71057053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).