(2S)-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide

C32H38N2O5 — CID 54637644

About (2S)-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide

(2S)-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide (PubChem CID 54637644) has the molecular formula C32H38N2O5 and a molecular weight of 530.67 g/mol. Its IUPAC name is (2S)-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide.

Molecular Properties

• Compound Name: (2S)-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide
• PubChem CID: 54637644
• Molecular Formula: C32H38N2O5
• Molecular Weight: 530.67 g/mol
• Exact Mass: 530.28
• IUPAC Name: (2S)-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide
• SMILES: CO[C@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@H]1C)c1ccccc1
• InChI: InChI=1S/C32H38N2O5/c1-22-18-34(23(2)20-35)31(36)28-17-11-10-16-27(28)26-15-9-8-14-25(26)21-39-29(22)19-33(3)32(37)30(38-4)24-12-6-5-7-13-24/h5-17,22-23,29-30,35H,18-21H2,1-4H3/t22-,23+,29-,30+/m1/s1
• InChIKey: DVGPQCDULGSEFB-SSCOXSIPSA-N
• XLogP: 4.56
• TPSA: 79.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.67
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide?

The IUPAC name of (2S)-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide (CID 54637644) is (2S)-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide.

What is the SMILES notation for (2S)-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide?

The canonical SMILES for (2S)-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide is CO[C@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@H]1C)c1ccccc1.

What is the InChIKey of (2S)-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide?

The InChIKey is DVGPQCDULGSEFB-SSCOXSIPSA-N. The full InChI is InChI=1S/C32H38N2O5/c1-22-18-34(23(2)20-35)31(36)28-17-11-10-16-27(28)26-15-9-8-14-25(26)21-39-29(22)19-33(3)32(37)30(38-4)24-12-6-5-7-13-24/h5-17,22-23,29-30,35H,18-21H2,1-4H3/t22-,23+,29-,30+/m1/s1.

What are the key properties of (2S)-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide?

(2S)-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide has a molecular weight of 530.67 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methyl-2-phenylacetamide is sourced from PubChem (CID 54637644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).