7-methoxy-N-methyl-N-phenyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

C20H18N2O3 — CID 6621443

IUPAC7-methoxy-N-methyl-N-phenyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c(C(=O)N(C)c3ccccc3)noc1-2
InChIInChI=1S/C20H18N2O3/c1-22(14-6-4-3-5-7-14)20(23)18-17-10-8-13-12-15(24-2)9-11-16(13)19(17)25-21-18/h3-7,9,11-12H,8,10H2,1-2H3
InChIKeyFORYESFIEOBZHJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.73
Rot. Bonds3

About 7-methoxy-N-methyl-N-phenyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

7-methoxy-N-methyl-N-phenyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 6621443) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 7-methoxy-N-methyl-N-phenyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-methyl-N-phenyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID6621443
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name7-methoxy-N-methyl-N-phenyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c(C(=O)N(C)c3ccccc3)noc1-2
InChIInChI=1S/C20H18N2O3/c1-22(14-6-4-3-5-7-14)20(23)18-17-10-8-13-12-15(24-2)9-11-16(13)19(17)25-21-18/h3-7,9,11-12H,8,10H2,1-2H3
InChIKeyFORYESFIEOBZHJ-UHFFFAOYSA-N
XLogP3.73
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-N-phenyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of 7-methoxy-N-methyl-N-phenyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 6621443) is 7-methoxy-N-methyl-N-phenyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-methyl-N-phenyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for 7-methoxy-N-methyl-N-phenyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is COc1ccc2c(c1)CCc1c(C(=O)N(C)c3ccccc3)noc1-2.
What is the InChIKey of 7-methoxy-N-methyl-N-phenyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is FORYESFIEOBZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-22(14-6-4-3-5-7-14)20(23)18-17-10-8-13-12-15(24-2)9-11-16(13)19(17)25-21-18/h3-7,9,11-12H,8,10H2,1-2H3.
What are the key properties of 7-methoxy-N-methyl-N-phenyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
7-methoxy-N-methyl-N-phenyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-N-phenyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 6621443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).