10-phenylmethoxy-2,18-dioxa-7,13,28-triazatetracyclo[17.5.3.18,12.022,26]octacosa-1(25),8,10,12(28),19(27),20,22(26),23-octaene-6,14-dione

C30H29N3O5 — CID 10324101

IUPAC10-phenylmethoxy-2,18-dioxa-7,13,28-triazatetracyclo[17.5.3.18,12.022,26]octacosa-1(25),8,10,12(28),19(27),20,22(26),23-octaene-6,14-dione
SMILESO=C1CCCOc2ccc3ccc(cc3c2)OCCCC(=O)Nc2cc(OCc3ccccc3)cc(n2)N1
InChIInChI=1S/C30H29N3O5/c34-29-8-4-14-36-24-12-10-22-11-13-25(17-23(22)16-24)37-15-5-9-30(35)33-28-19-26(18-27(31-28)32-29)38-20-21-6-2-1-3-7-21/h1-3,6-7,10-13,16-19H,4-5,8-9,14-15,20H2,(H2,31,32,33,34,35)
InChIKeyDYMFZBTXZKBDRU-UHFFFAOYSA-N
MW511.58 g/mol
LogP5.72
Rot. Bonds3

About 10-phenylmethoxy-2,18-dioxa-7,13,28-triazatetracyclo[17.5.3.18,12.022,26]octacosa-1(25),8,10,12(28),19(27),20,22(26),23-octaene-6,14-dione

10-phenylmethoxy-2,18-dioxa-7,13,28-triazatetracyclo[17.5.3.18,12.022,26]octacosa-1(25),8,10,12(28),19(27),20,22(26),23-octaene-6,14-dione (PubChem CID 10324101) has the molecular formula C30H29N3O5 and a molecular weight of 511.58 g/mol. Its IUPAC name is 10-phenylmethoxy-2,18-dioxa-7,13,28-triazatetracyclo[17.5.3.18,12.022,26]octacosa-1(25),8,10,12(28),19(27),20,22(26),23-octaene-6,14-dione.

Molecular Properties

Compound Name10-phenylmethoxy-2,18-dioxa-7,13,28-triazatetracyclo[17.5.3.18,12.022,26]octacosa-1(25),8,10,12(28),19(27),20,22(26),23-octaene-6,14-dione
PubChem CID10324101
Molecular FormulaC30H29N3O5
Molecular Weight511.58 g/mol
Exact Mass511.21
IUPAC Name10-phenylmethoxy-2,18-dioxa-7,13,28-triazatetracyclo[17.5.3.18,12.022,26]octacosa-1(25),8,10,12(28),19(27),20,22(26),23-octaene-6,14-dione
SMILESO=C1CCCOc2ccc3ccc(cc3c2)OCCCC(=O)Nc2cc(OCc3ccccc3)cc(n2)N1
InChIInChI=1S/C30H29N3O5/c34-29-8-4-14-36-24-12-10-22-11-13-25(17-23(22)16-24)37-15-5-9-30(35)33-28-19-26(18-27(31-28)32-29)38-20-21-6-2-1-3-7-21/h1-3,6-7,10-13,16-19H,4-5,8-9,14-15,20H2,(H2,31,32,33,34,35)
InChIKeyDYMFZBTXZKBDRU-UHFFFAOYSA-N
XLogP5.72
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 10-phenylmethoxy-2,18-dioxa-7,13,28-triazatetracyclo[17.5.3.18,12.022,26]octacosa-1(25),8,10,12(28),19(27),20,22(26),23-octaene-6,14-dione with MolForge

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Related Compounds

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CID 101003424
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CID 102178883
7-phenylmethoxy-3,11,17,28-tetrazatetracyclo[27.2.2.213,16.15,9]hexatriaconta-1(32),5(36),6,8,13,15,29(33),30,34-nonaene-4,10,18,27-tetrone
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Frequently Asked Questions

What is the IUPAC name of 10-phenylmethoxy-2,18-dioxa-7,13,28-triazatetracyclo[17.5.3.18,12.022,26]octacosa-1(25),8,10,12(28),19(27),20,22(26),23-octaene-6,14-dione?
The IUPAC name of 10-phenylmethoxy-2,18-dioxa-7,13,28-triazatetracyclo[17.5.3.18,12.022,26]octacosa-1(25),8,10,12(28),19(27),20,22(26),23-octaene-6,14-dione (CID 10324101) is 10-phenylmethoxy-2,18-dioxa-7,13,28-triazatetracyclo[17.5.3.18,12.022,26]octacosa-1(25),8,10,12(28),19(27),20,22(26),23-octaene-6,14-dione.
What is the SMILES notation for 10-phenylmethoxy-2,18-dioxa-7,13,28-triazatetracyclo[17.5.3.18,12.022,26]octacosa-1(25),8,10,12(28),19(27),20,22(26),23-octaene-6,14-dione?
The canonical SMILES for 10-phenylmethoxy-2,18-dioxa-7,13,28-triazatetracyclo[17.5.3.18,12.022,26]octacosa-1(25),8,10,12(28),19(27),20,22(26),23-octaene-6,14-dione is O=C1CCCOc2ccc3ccc(cc3c2)OCCCC(=O)Nc2cc(OCc3ccccc3)cc(n2)N1.
What is the InChIKey of 10-phenylmethoxy-2,18-dioxa-7,13,28-triazatetracyclo[17.5.3.18,12.022,26]octacosa-1(25),8,10,12(28),19(27),20,22(26),23-octaene-6,14-dione?
The InChIKey is DYMFZBTXZKBDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O5/c34-29-8-4-14-36-24-12-10-22-11-13-25(17-23(22)16-24)37-15-5-9-30(35)33-28-19-26(18-27(31-28)32-29)38-20-21-6-2-1-3-7-21/h1-3,6-7,10-13,16-19H,4-5,8-9,14-15,20H2,(H2,31,32,33,34,35).
What are the key properties of 10-phenylmethoxy-2,18-dioxa-7,13,28-triazatetracyclo[17.5.3.18,12.022,26]octacosa-1(25),8,10,12(28),19(27),20,22(26),23-octaene-6,14-dione?
10-phenylmethoxy-2,18-dioxa-7,13,28-triazatetracyclo[17.5.3.18,12.022,26]octacosa-1(25),8,10,12(28),19(27),20,22(26),23-octaene-6,14-dione has a molecular weight of 511.58 g/mol, XLogP of 5.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenylmethoxy-2,18-dioxa-7,13,28-triazatetracyclo[17.5.3.18,12.022,26]octacosa-1(25),8,10,12(28),19(27),20,22(26),23-octaene-6,14-dione is sourced from PubChem (CID 10324101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).