3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C17H21N3O4 — CID 113129681

IUPAC3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1ccc(C)cc1N(CCC(=O)Nc1cc(C)on1)C(C)=O
InChIInChI=1S/C17H21N3O4/c1-11-5-6-15(23-4)14(9-11)20(13(3)21)8-7-17(22)18-16-10-12(2)24-19-16/h5-6,9-10H,7-8H2,1-4H3,(H,18,19,22)
InChIKeyCWNKNNYPTSCODM-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.68
Rot. Bonds6

About 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 113129681) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID113129681
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1ccc(C)cc1N(CCC(=O)Nc1cc(C)on1)C(C)=O
InChIInChI=1S/C17H21N3O4/c1-11-5-6-15(23-4)14(9-11)20(13(3)21)8-7-17(22)18-16-10-12(2)24-19-16/h5-6,9-10H,7-8H2,1-4H3,(H,18,19,22)
InChIKeyCWNKNNYPTSCODM-UHFFFAOYSA-N
XLogP2.68
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113172914
3-(N-acetyl-2-methoxy-5-methylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113129649
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide
CID 113129676
3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide
CID 113129532
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113135846
N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(2-methoxy-5-methylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 649184
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129639
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,3-dichlorophenyl)propanamide
CID 113129672
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113129632
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide
CID 113129674
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113129540
3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113130020

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 113129681) is 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is COc1ccc(C)cc1N(CCC(=O)Nc1cc(C)on1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is CWNKNNYPTSCODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11-5-6-15(23-4)14(9-11)20(13(3)21)8-7-17(22)18-16-10-12(2)24-19-16/h5-6,9-10H,7-8H2,1-4H3,(H,18,19,22).
What are the key properties of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 331.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 113129681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).