1-N,9-N-bis[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1,9-dicarboxamide

C22H28N4O4 — CID 15728269

IUPAC1-N,9-N-bis[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1,9-dicarboxamide
SMILESCN(C)CCNC(=O)c1cccc2c1Oc1c(cccc1C(=O)NCCN(C)C)O2
InChIInChI=1S/C22H28N4O4/c1-25(2)13-11-23-21(27)15-7-5-9-17-19(15)30-20-16(8-6-10-18(20)29-17)22(28)24-12-14-26(3)4/h5-10H,11-14H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyAQSCNZBAIJYDEF-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.17
Rot. Bonds8

About 1-N,9-N-bis[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1,9-dicarboxamide

1-N,9-N-bis[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1,9-dicarboxamide (PubChem CID 15728269) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-N,9-N-bis[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1,9-dicarboxamide.

Molecular Properties

Compound Name1-N,9-N-bis[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1,9-dicarboxamide
PubChem CID15728269
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name1-N,9-N-bis[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1,9-dicarboxamide
SMILESCN(C)CCNC(=O)c1cccc2c1Oc1c(cccc1C(=O)NCCN(C)C)O2
InChIInChI=1S/C22H28N4O4/c1-25(2)13-11-23-21(27)15-7-5-9-17-19(15)30-20-16(8-6-10-18(20)29-17)22(28)24-12-14-26(3)4/h5-10H,11-14H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyAQSCNZBAIJYDEF-UHFFFAOYSA-N
XLogP2.17
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N,9-N-bis[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1,9-dicarboxamide?
The IUPAC name of 1-N,9-N-bis[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1,9-dicarboxamide (CID 15728269) is 1-N,9-N-bis[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1,9-dicarboxamide.
What is the SMILES notation for 1-N,9-N-bis[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1,9-dicarboxamide?
The canonical SMILES for 1-N,9-N-bis[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1,9-dicarboxamide is CN(C)CCNC(=O)c1cccc2c1Oc1c(cccc1C(=O)NCCN(C)C)O2.
What is the InChIKey of 1-N,9-N-bis[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1,9-dicarboxamide?
The InChIKey is AQSCNZBAIJYDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-25(2)13-11-23-21(27)15-7-5-9-17-19(15)30-20-16(8-6-10-18(20)29-17)22(28)24-12-14-26(3)4/h5-10H,11-14H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of 1-N,9-N-bis[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1,9-dicarboxamide?
1-N,9-N-bis[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1,9-dicarboxamide has a molecular weight of 412.49 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,9-N-bis[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1,9-dicarboxamide is sourced from PubChem (CID 15728269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).