(10R,15S)-24-methoxy-19-(3-methoxypropyl)-13-(oxane-4-carbonyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one

C32H43N3O7 — CID 131911368

About (10R,15S)-24-methoxy-19-(3-methoxypropyl)-13-(oxane-4-carbonyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one

(10R,15S)-24-methoxy-19-(3-methoxypropyl)-13-(oxane-4-carbonyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one (PubChem CID 131911368) has the molecular formula C32H43N3O7 and a molecular weight of 581.71 g/mol. Its IUPAC name is (10R,15S)-24-methoxy-19-(3-methoxypropyl)-13-(oxane-4-carbonyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one.

Molecular Properties

• Compound Name: (10R,15S)-24-methoxy-19-(3-methoxypropyl)-13-(oxane-4-carbonyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one
• PubChem CID: 131911368
• Molecular Formula: C32H43N3O7
• Molecular Weight: 581.71 g/mol
• Exact Mass: 581.31
• IUPAC Name: (10R,15S)-24-methoxy-19-(3-methoxypropyl)-13-(oxane-4-carbonyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one
• SMILES: COCCCN1CC(=O)N[C@H]2CN(C(=O)C3CCOCC3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1
• InChI: InChI=1S/C32H43N3O7/c1-38-14-4-12-34-19-23-7-8-29(39-2)30(18-23)42-26-6-3-5-24(17-26)22-41-28-9-13-35(20-27(28)33-31(36)21-34)32(37)25-10-15-40-16-11-25/h3,5-8,17-18,25,27-28H,4,9-16,19-22H2,1-2H3,(H,33,36)/t27-,28+/m0/s1
• InChIKey: YHNZVUPWXFOAEZ-WUFINQPMSA-N
• XLogP: 3.37
• TPSA: 98.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.71
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (10R,15S)-24-methoxy-19-(3-methoxypropyl)-13-(oxane-4-carbonyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one?

The IUPAC name of (10R,15S)-24-methoxy-19-(3-methoxypropyl)-13-(oxane-4-carbonyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one (CID 131911368) is (10R,15S)-24-methoxy-19-(3-methoxypropyl)-13-(oxane-4-carbonyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one.

What is the SMILES notation for (10R,15S)-24-methoxy-19-(3-methoxypropyl)-13-(oxane-4-carbonyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one?

The canonical SMILES for (10R,15S)-24-methoxy-19-(3-methoxypropyl)-13-(oxane-4-carbonyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one is COCCCN1CC(=O)N[C@H]2CN(C(=O)C3CCOCC3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1.

What is the InChIKey of (10R,15S)-24-methoxy-19-(3-methoxypropyl)-13-(oxane-4-carbonyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one?

The InChIKey is YHNZVUPWXFOAEZ-WUFINQPMSA-N. The full InChI is InChI=1S/C32H43N3O7/c1-38-14-4-12-34-19-23-7-8-29(39-2)30(18-23)42-26-6-3-5-24(17-26)22-41-28-9-13-35(20-27(28)33-31(36)21-34)32(37)25-10-15-40-16-11-25/h3,5-8,17-18,25,27-28H,4,9-16,19-22H2,1-2H3,(H,33,36)/t27-,28+/m0/s1.

What are the key properties of (10R,15S)-24-methoxy-19-(3-methoxypropyl)-13-(oxane-4-carbonyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one?

(10R,15S)-24-methoxy-19-(3-methoxypropyl)-13-(oxane-4-carbonyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one has a molecular weight of 581.71 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (10R,15S)-24-methoxy-19-(3-methoxypropyl)-13-(oxane-4-carbonyl)-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-17-one is sourced from PubChem (CID 131911368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).