(10S,14S)-18-cyclopropyl-12-[[3-(2-hydroxyethoxy)phenyl]methyl]-24-methoxy-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione

C35H41N3O7 — CID 131905720

About (10S,14S)-18-cyclopropyl-12-[[3-(2-hydroxyethoxy)phenyl]methyl]-24-methoxy-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione

(10S,14S)-18-cyclopropyl-12-[[3-(2-hydroxyethoxy)phenyl]methyl]-24-methoxy-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione (PubChem CID 131905720) has the molecular formula C35H41N3O7 and a molecular weight of 615.73 g/mol. Its IUPAC name is (10S,14S)-18-cyclopropyl-12-[[3-(2-hydroxyethoxy)phenyl]methyl]-24-methoxy-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione.

Molecular Properties

• Compound Name: (10S,14S)-18-cyclopropyl-12-[[3-(2-hydroxyethoxy)phenyl]methyl]-24-methoxy-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione
• PubChem CID: 131905720
• Molecular Formula: C35H41N3O7
• Molecular Weight: 615.73 g/mol
• Exact Mass: 615.29
• IUPAC Name: (10S,14S)-18-cyclopropyl-12-[[3-(2-hydroxyethoxy)phenyl]methyl]-24-methoxy-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione
• SMILES: COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(Cc3cccc(OCCO)c3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2
• InChI: InChI=1S/C35H41N3O7/c1-42-32-18-24-8-12-31(32)45-29-7-3-5-26(17-29)23-44-33-21-37(19-25-4-2-6-28(16-25)43-15-14-39)20-30(33)36-34(40)22-38(27-10-11-27)35(41)13-9-24/h2-8,12,16-18,27,30,33,39H,9-11,13-15,19-23H2,1H3,(H,36,40)/t30-,33-/m0/s1
• InChIKey: RAWYJVZZRNLPPU-DITALETJSA-N
• XLogP: 3.68
• TPSA: 109.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	615.73
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (10S,14S)-18-cyclopropyl-12-[[3-(2-hydroxyethoxy)phenyl]methyl]-24-methoxy-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione?

The IUPAC name of (10S,14S)-18-cyclopropyl-12-[[3-(2-hydroxyethoxy)phenyl]methyl]-24-methoxy-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione (CID 131905720) is (10S,14S)-18-cyclopropyl-12-[[3-(2-hydroxyethoxy)phenyl]methyl]-24-methoxy-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione.

What is the SMILES notation for (10S,14S)-18-cyclopropyl-12-[[3-(2-hydroxyethoxy)phenyl]methyl]-24-methoxy-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione?

The canonical SMILES for (10S,14S)-18-cyclopropyl-12-[[3-(2-hydroxyethoxy)phenyl]methyl]-24-methoxy-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione is COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(Cc3cccc(OCCO)c3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2.

What is the InChIKey of (10S,14S)-18-cyclopropyl-12-[[3-(2-hydroxyethoxy)phenyl]methyl]-24-methoxy-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione?

The InChIKey is RAWYJVZZRNLPPU-DITALETJSA-N. The full InChI is InChI=1S/C35H41N3O7/c1-42-32-18-24-8-12-31(32)45-29-7-3-5-26(17-29)23-44-33-21-37(19-25-4-2-6-28(16-25)43-15-14-39)20-30(33)36-34(40)22-38(27-10-11-27)35(41)13-9-24/h2-8,12,16-18,27,30,33,39H,9-11,13-15,19-23H2,1H3,(H,36,40)/t30-,33-/m0/s1.

What are the key properties of (10S,14S)-18-cyclopropyl-12-[[3-(2-hydroxyethoxy)phenyl]methyl]-24-methoxy-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione?

(10S,14S)-18-cyclopropyl-12-[[3-(2-hydroxyethoxy)phenyl]methyl]-24-methoxy-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione has a molecular weight of 615.73 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (10S,14S)-18-cyclopropyl-12-[[3-(2-hydroxyethoxy)phenyl]methyl]-24-methoxy-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3,5,7(27),22,25-hexaene-16,19-dione is sourced from PubChem (CID 131905720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).