14-benzyl-7,12-dimethyl-1,4-dioxa-7,12-diazacyclotetradecane-2,6,13-trione

C19H26N2O5 — CID 558622

IUPAC14-benzyl-7,12-dimethyl-1,4-dioxa-7,12-diazacyclotetradecane-2,6,13-trione
SMILESCN1CCCCN(C)C(=O)C(Cc2ccccc2)OC(=O)COCC1=O
InChIInChI=1S/C19H26N2O5/c1-20-10-6-7-11-21(2)19(24)16(12-15-8-4-3-5-9-15)26-18(23)14-25-13-17(20)22/h3-5,8-9,16H,6-7,10-14H2,1-2H3
InChIKeyFXHKMMLMVGPPKT-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.87
Rot. Bonds2

About 14-benzyl-7,12-dimethyl-1,4-dioxa-7,12-diazacyclotetradecane-2,6,13-trione

14-benzyl-7,12-dimethyl-1,4-dioxa-7,12-diazacyclotetradecane-2,6,13-trione (PubChem CID 558622) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 14-benzyl-7,12-dimethyl-1,4-dioxa-7,12-diazacyclotetradecane-2,6,13-trione.

Molecular Properties

Compound Name14-benzyl-7,12-dimethyl-1,4-dioxa-7,12-diazacyclotetradecane-2,6,13-trione
PubChem CID558622
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name14-benzyl-7,12-dimethyl-1,4-dioxa-7,12-diazacyclotetradecane-2,6,13-trione
SMILESCN1CCCCN(C)C(=O)C(Cc2ccccc2)OC(=O)COCC1=O
InChIInChI=1S/C19H26N2O5/c1-20-10-6-7-11-21(2)19(24)16(12-15-8-4-3-5-9-15)26-18(23)14-25-13-17(20)22/h3-5,8-9,16H,6-7,10-14H2,1-2H3
InChIKeyFXHKMMLMVGPPKT-UHFFFAOYSA-N
XLogP0.87
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-benzyl-7,12-dimethyl-1,4-dioxa-7,12-diazacyclotetradecane-2,6,13-trione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 14-benzyl-7,12-dimethyl-1,4-dioxa-7,12-diazacyclotetradecane-2,6,13-trione?
The IUPAC name of 14-benzyl-7,12-dimethyl-1,4-dioxa-7,12-diazacyclotetradecane-2,6,13-trione (CID 558622) is 14-benzyl-7,12-dimethyl-1,4-dioxa-7,12-diazacyclotetradecane-2,6,13-trione.
What is the SMILES notation for 14-benzyl-7,12-dimethyl-1,4-dioxa-7,12-diazacyclotetradecane-2,6,13-trione?
The canonical SMILES for 14-benzyl-7,12-dimethyl-1,4-dioxa-7,12-diazacyclotetradecane-2,6,13-trione is CN1CCCCN(C)C(=O)C(Cc2ccccc2)OC(=O)COCC1=O.
What is the InChIKey of 14-benzyl-7,12-dimethyl-1,4-dioxa-7,12-diazacyclotetradecane-2,6,13-trione?
The InChIKey is FXHKMMLMVGPPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-20-10-6-7-11-21(2)19(24)16(12-15-8-4-3-5-9-15)26-18(23)14-25-13-17(20)22/h3-5,8-9,16H,6-7,10-14H2,1-2H3.
What are the key properties of 14-benzyl-7,12-dimethyl-1,4-dioxa-7,12-diazacyclotetradecane-2,6,13-trione?
14-benzyl-7,12-dimethyl-1,4-dioxa-7,12-diazacyclotetradecane-2,6,13-trione has a molecular weight of 362.43 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-benzyl-7,12-dimethyl-1,4-dioxa-7,12-diazacyclotetradecane-2,6,13-trione is sourced from PubChem (CID 558622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).