N-(2,5-diethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C20H22N2O5 — CID 3241900

IUPACN-(2,5-diethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCCOc1ccc(OCC)c(NC(=O)CCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C20H22N2O5/c1-3-25-14-9-10-17(26-4-2)15(13-14)21-19(23)11-12-22-16-7-5-6-8-18(16)27-20(22)24/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyUTVYLBUHTWEBQN-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.42
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-(2,5-diethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 3241900) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID3241900
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-(2,5-diethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCCOc1ccc(OCC)c(NC(=O)CCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C20H22N2O5/c1-3-25-14-9-10-17(26-4-2)15(13-14)21-19(23)11-12-22-16-7-5-6-8-18(16)27-20(22)24/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyUTVYLBUHTWEBQN-UHFFFAOYSA-N
XLogP3.42
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 3241900) is N-(2,5-diethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CCOc1ccc(OCC)c(NC(=O)CCn2c(=O)oc3ccccc32)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is UTVYLBUHTWEBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-3-25-14-9-10-17(26-4-2)15(13-14)21-19(23)11-12-22-16-7-5-6-8-18(16)27-20(22)24/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-(2,5-diethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(2,5-diethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 370.41 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 3241900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).