2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide

C16H20N2O4 — CID 99947653

IUPAC2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)N(C)[C@@H](C)c2ccon2)cc1OC
InChIInChI=1S/C16H20N2O4/c1-11(13-7-8-22-17-13)18(2)16(19)10-12-5-6-14(20-3)15(9-12)21-4/h5-9,11H,10H2,1-4H3/t11-/m0/s1
InChIKeyPNUSXWWZYDIOGA-NSHDSACASA-N
MW304.35 g/mol
LogP2.45
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide

2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide (PubChem CID 99947653) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide
PubChem CID99947653
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)N(C)[C@@H](C)c2ccon2)cc1OC
InChIInChI=1S/C16H20N2O4/c1-11(13-7-8-22-17-13)18(2)16(19)10-12-5-6-14(20-3)15(9-12)21-4/h5-9,11H,10H2,1-4H3/t11-/m0/s1
InChIKeyPNUSXWWZYDIOGA-NSHDSACASA-N
XLogP2.45
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 75871944
N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
CID 75871905
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 63960954
N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
CID 9416450
2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid
CID 110834445
N-(3-aminopropyl)-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide
CID 43136651
1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one
CID 61055069
2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 720349
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287977
3-[[2-(3,4-dimethoxyphenyl)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190485

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide (CID 99947653) is 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide is COc1ccc(CC(=O)N(C)[C@@H](C)c2ccon2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide?
The InChIKey is PNUSXWWZYDIOGA-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11(13-7-8-22-17-13)18(2)16(19)10-12-5-6-14(20-3)15(9-12)21-4/h5-9,11H,10H2,1-4H3/t11-/m0/s1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide has a molecular weight of 304.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 99947653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).