3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide

C20H22N2O3 — CID 110707517

IUPAC3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
SMILESCOc1ccccc1CCC(=O)NCCc1ccc2oc(C)nc2c1
InChIInChI=1S/C20H22N2O3/c1-14-22-17-13-15(7-9-19(17)25-14)11-12-21-20(23)10-8-16-5-3-4-6-18(16)24-2/h3-7,9,13H,8,10-12H2,1-2H3,(H,21,23)
InChIKeyOPIFCXFFKVGRDO-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.44
Rot. Bonds7

About 3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide

3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide (PubChem CID 110707517) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
PubChem CID110707517
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
SMILESCOc1ccccc1CCC(=O)NCCc1ccc2oc(C)nc2c1
InChIInChI=1S/C20H22N2O3/c1-14-22-17-13-15(7-9-19(17)25-14)11-12-21-20(23)10-8-16-5-3-4-6-18(16)24-2/h3-7,9,13H,8,10-12H2,1-2H3,(H,21,23)
InChIKeyOPIFCXFFKVGRDO-UHFFFAOYSA-N
XLogP3.44
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390561
2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110707532
N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide
CID 110707496
3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115173969
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390584
N-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390579
3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791095
3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]propanamide
CID 110718606
N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390565
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 110707409
N-[2-(3-fluorophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 18118760
N-(2-methoxy-5-methylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390666

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide (CID 110707517) is 3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide is COc1ccccc1CCC(=O)NCCc1ccc2oc(C)nc2c1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide?
The InChIKey is OPIFCXFFKVGRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-22-17-13-15(7-9-19(17)25-14)11-12-21-20(23)10-8-16-5-3-4-6-18(16)24-2/h3-7,9,13H,8,10-12H2,1-2H3,(H,21,23).
What are the key properties of 3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide?
3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 110707517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).