N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C20H20N2O4 — CID 126786894

IUPACN-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCOc1cccc2c1CCC2NC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C20H20N2O4/c1-25-17-8-4-5-13-14(17)9-10-15(13)21-19(23)11-12-22-16-6-2-3-7-18(16)26-20(22)24/h2-8,15H,9-12H2,1H3,(H,21,23)
InChIKeyCZKJDDWEQTVHAW-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.80
Rot. Bonds5

About N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 126786894) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID126786894
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCOc1cccc2c1CCC2NC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C20H20N2O4/c1-25-17-8-4-5-13-14(17)9-10-15(13)21-19(23)11-12-22-16-6-2-3-7-18(16)26-20(22)24/h2-8,15H,9-12H2,1H3,(H,21,23)
InChIKeyCZKJDDWEQTVHAW-UHFFFAOYSA-N
XLogP2.80
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 126786894) is N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is COc1cccc2c1CCC2NC(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is CZKJDDWEQTVHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-25-17-8-4-5-13-14(17)9-10-15(13)21-19(23)11-12-22-16-6-2-3-7-18(16)26-20(22)24/h2-8,15H,9-12H2,1H3,(H,21,23).
What are the key properties of N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 352.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 126786894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).