7-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

C16H18N2O4 — CID 3239940

IUPAC7-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOCCNC(=O)c1noc2c1CCc1cc(OC)ccc1-2
InChIInChI=1S/C16H18N2O4/c1-20-8-7-17-16(19)14-13-5-3-10-9-11(21-2)4-6-12(10)15(13)22-18-14/h4,6,9H,3,5,7-8H2,1-2H3,(H,17,19)
InChIKeyHOFPLBALDRUYDN-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.83
Rot. Bonds5

About 7-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

7-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 3239940) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 7-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID3239940
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name7-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOCCNC(=O)c1noc2c1CCc1cc(OC)ccc1-2
InChIInChI=1S/C16H18N2O4/c1-20-8-7-17-16(19)14-13-5-3-10-9-11(21-2)4-6-12(10)15(13)22-18-14/h4,6,9H,3,5,7-8H2,1-2H3,(H,17,19)
InChIKeyHOFPLBALDRUYDN-UHFFFAOYSA-N
XLogP1.83
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of 7-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 3239940) is 7-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for 7-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is COCCNC(=O)c1noc2c1CCc1cc(OC)ccc1-2.
What is the InChIKey of 7-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is HOFPLBALDRUYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-20-8-7-17-16(19)14-13-5-3-10-9-11(21-2)4-6-12(10)15(13)22-18-14/h4,6,9H,3,5,7-8H2,1-2H3,(H,17,19).
What are the key properties of 7-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
7-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 3239940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).