3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide

C20H26N2O3 — CID 110310845

IUPAC3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide
SMILESCOc1ccc(C(CC(=O)NCCc2cc(C)on2)C2CC2)cc1C
InChIInChI=1S/C20H26N2O3/c1-13-10-16(6-7-19(13)24-3)18(15-4-5-15)12-20(23)21-9-8-17-11-14(2)25-22-17/h6-7,10-11,15,18H,4-5,8-9,12H2,1-3H3,(H,21,23)
InChIKeyJQARLAROEDZEQQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.54
Rot. Bonds8

About 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide

3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide (PubChem CID 110310845) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide
PubChem CID110310845
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide
SMILESCOc1ccc(C(CC(=O)NCCc2cc(C)on2)C2CC2)cc1C
InChIInChI=1S/C20H26N2O3/c1-13-10-16(6-7-19(13)24-3)18(15-4-5-15)12-20(23)21-9-8-17-11-14(2)25-22-17/h6-7,10-11,15,18H,4-5,8-9,12H2,1-3H3,(H,21,23)
InChIKeyJQARLAROEDZEQQ-UHFFFAOYSA-N
XLogP3.54
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide?
The IUPAC name of 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide (CID 110310845) is 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide is COc1ccc(C(CC(=O)NCCc2cc(C)on2)C2CC2)cc1C.
What is the InChIKey of 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide?
The InChIKey is JQARLAROEDZEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13-10-16(6-7-19(13)24-3)18(15-4-5-15)12-20(23)21-9-8-17-11-14(2)25-22-17/h6-7,10-11,15,18H,4-5,8-9,12H2,1-3H3,(H,21,23).
What are the key properties of 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide?
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide has a molecular weight of 342.44 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 110310845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).