11-(methylamino)-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione

C14H23N3O3 — CID 123607325

IUPAC11-(methylamino)-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione
SMILESCNC1C=COCCNC(=O)C=CC(C(C)C)NC1=O
InChIInChI=1S/C14H23N3O3/c1-10(2)11-4-5-13(18)16-7-9-20-8-6-12(15-3)14(19)17-11/h4-6,8,10-12,15H,7,9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyKVVHQKQJPHQEHK-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.07
Rot. Bonds2

About 11-(methylamino)-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione

11-(methylamino)-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione (PubChem CID 123607325) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 11-(methylamino)-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione.

Molecular Properties

Compound Name11-(methylamino)-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione
PubChem CID123607325
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name11-(methylamino)-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione
SMILESCNC1C=COCCNC(=O)C=CC(C(C)C)NC1=O
InChIInChI=1S/C14H23N3O3/c1-10(2)11-4-5-13(18)16-7-9-20-8-6-12(15-3)14(19)17-11/h4-6,8,10-12,15H,7,9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyKVVHQKQJPHQEHK-UHFFFAOYSA-N
XLogP-0.07
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-(methylamino)-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione?
The IUPAC name of 11-(methylamino)-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione (CID 123607325) is 11-(methylamino)-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione.
What is the SMILES notation for 11-(methylamino)-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione?
The canonical SMILES for 11-(methylamino)-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione is CNC1C=COCCNC(=O)C=CC(C(C)C)NC1=O.
What is the InChIKey of 11-(methylamino)-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione?
The InChIKey is KVVHQKQJPHQEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10(2)11-4-5-13(18)16-7-9-20-8-6-12(15-3)14(19)17-11/h4-6,8,10-12,15H,7,9H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 11-(methylamino)-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione?
11-(methylamino)-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione has a molecular weight of 281.36 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(methylamino)-8-propan-2-yl-1-oxa-4,9-diazacyclotrideca-6,12-diene-5,10-dione is sourced from PubChem (CID 123607325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).