1-[2-[(10R,15S)-24-methoxy-19-(3-methoxypropyl)-17-oxo-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-13-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione

C33H41N5O8 — CID 131925167

About 1-[2-[(10R,15S)-24-methoxy-19-(3-methoxypropyl)-17-oxo-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-13-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione

1-[2-[(10R,15S)-24-methoxy-19-(3-methoxypropyl)-17-oxo-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-13-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione (PubChem CID 131925167) has the molecular formula C33H41N5O8 and a molecular weight of 635.72 g/mol. Its IUPAC name is 1-[2-[(10R,15S)-24-methoxy-19-(3-methoxypropyl)-17-oxo-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-13-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[2-[(10R,15S)-24-methoxy-19-(3-methoxypropyl)-17-oxo-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-13-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
• PubChem CID: 131925167
• Molecular Formula: C33H41N5O8
• Molecular Weight: 635.72 g/mol
• Exact Mass: 635.30
• IUPAC Name: 1-[2-[(10R,15S)-24-methoxy-19-(3-methoxypropyl)-17-oxo-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-13-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
• SMILES: COCCCN1CC(=O)N[C@H]2CN(C(=O)Cn3cc(C)c(=O)[nH]c3=O)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1
• InChI: InChI=1S/C33H41N5O8/c1-22-16-38(33(42)35-32(22)41)20-31(40)37-12-10-27-26(18-37)34-30(39)19-36(11-5-13-43-2)17-23-8-9-28(44-3)29(15-23)46-25-7-4-6-24(14-25)21-45-27/h4,6-9,14-16,26-27H,5,10-13,17-21H2,1-3H3,(H,34,39)(H,35,41,42)/t26-,27+/m0/s1
• InChIKey: ZZNZPVKCCPMXBV-RRPNLBNLSA-N
• XLogP: 1.80
• TPSA: 144.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	635.72
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(10R,15S)-24-methoxy-19-(3-methoxypropyl)-17-oxo-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-13-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?

The IUPAC name of 1-[2-[(10R,15S)-24-methoxy-19-(3-methoxypropyl)-17-oxo-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-13-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione (CID 131925167) is 1-[2-[(10R,15S)-24-methoxy-19-(3-methoxypropyl)-17-oxo-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-13-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for 1-[2-[(10R,15S)-24-methoxy-19-(3-methoxypropyl)-17-oxo-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-13-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?

The canonical SMILES for 1-[2-[(10R,15S)-24-methoxy-19-(3-methoxypropyl)-17-oxo-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-13-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione is COCCCN1CC(=O)N[C@H]2CN(C(=O)Cn3cc(C)c(=O)[nH]c3=O)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1.

What is the InChIKey of 1-[2-[(10R,15S)-24-methoxy-19-(3-methoxypropyl)-17-oxo-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-13-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?

The InChIKey is ZZNZPVKCCPMXBV-RRPNLBNLSA-N. The full InChI is InChI=1S/C33H41N5O8/c1-22-16-38(33(42)35-32(22)41)20-31(40)37-12-10-27-26(18-37)34-30(39)19-36(11-5-13-43-2)17-23-8-9-28(44-3)29(15-23)46-25-7-4-6-24(14-25)21-45-27/h4,6-9,14-16,26-27H,5,10-13,17-21H2,1-3H3,(H,34,39)(H,35,41,42)/t26-,27+/m0/s1.

What are the key properties of 1-[2-[(10R,15S)-24-methoxy-19-(3-methoxypropyl)-17-oxo-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-13-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?

1-[2-[(10R,15S)-24-methoxy-19-(3-methoxypropyl)-17-oxo-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-13-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 635.72 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(10R,15S)-24-methoxy-19-(3-methoxypropyl)-17-oxo-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-13-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 131925167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).