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

C20H18N2O2 — CID 3240663

IUPACN-(2-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1noc2c1CCc1ccccc1-2
InChIInChI=1S/C20H18N2O2/c23-20(21-13-12-14-6-2-1-3-7-14)18-17-11-10-15-8-4-5-9-16(15)19(17)24-22-18/h1-9H,10-13H2,(H,21,23)
InChIKeyOUBOUYMEWYBGOF-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.41
Rot. Bonds4

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

N-(2-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 3240663) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(2-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID3240663
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-(2-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1noc2c1CCc1ccccc1-2
InChIInChI=1S/C20H18N2O2/c23-20(21-13-12-14-6-2-1-3-7-14)18-17-11-10-15-8-4-5-9-16(15)19(17)24-22-18/h1-9H,10-13H2,(H,21,23)
InChIKeyOUBOUYMEWYBGOF-UHFFFAOYSA-N
XLogP3.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 3240663) is N-(2-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is O=C(NCCc1ccccc1)c1noc2c1CCc1ccccc1-2.
What is the InChIKey of N-(2-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is OUBOUYMEWYBGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-20(21-13-12-14-6-2-1-3-7-14)18-17-11-10-15-8-4-5-9-16(15)19(17)24-22-18/h1-9H,10-13H2,(H,21,23).
What are the key properties of N-(2-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
N-(2-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 3240663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).