methyl 2-acetamido-3-(N,2-dimethylanilino)propanoate

C14H20N2O3 — CID 65473235

IUPACmethyl 2-acetamido-3-(N,2-dimethylanilino)propanoate
SMILESCOC(=O)C(CN(C)c1ccccc1C)NC(C)=O
InChIInChI=1S/C14H20N2O3/c1-10-7-5-6-8-13(10)16(3)9-12(14(18)19-4)15-11(2)17/h5-8,12H,9H2,1-4H3,(H,15,17)
InChIKeyFLVWKJQJLHPKEO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.11
Rot. Bonds5

About methyl 2-acetamido-3-(N,2-dimethylanilino)propanoate

methyl 2-acetamido-3-(N,2-dimethylanilino)propanoate (PubChem CID 65473235) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-acetamido-3-(N,2-dimethylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(N,2-dimethylanilino)propanoate
PubChem CID65473235
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-acetamido-3-(N,2-dimethylanilino)propanoate
SMILESCOC(=O)C(CN(C)c1ccccc1C)NC(C)=O
InChIInChI=1S/C14H20N2O3/c1-10-7-5-6-8-13(10)16(3)9-12(14(18)19-4)15-11(2)17/h5-8,12H,9H2,1-4H3,(H,15,17)
InChIKeyFLVWKJQJLHPKEO-UHFFFAOYSA-N
XLogP1.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-(3-fluoro-N-methylanilino)propanoate
CID 65473627
methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate
CID 65441985
methyl 2-acetamido-3-[methyl(2-methylpropyl)amino]propanoate
CID 65444222
N,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate
CID 91577350
methyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate
CID 65442241
methyl (2S)-2-acetamido-3-(2-ethyl-6-methylphenyl)propanoate
CID 11507224
methyl 2-acetamido-3-[(3-methoxyphenyl)methyl-methylamino]propanoate
CID 65475947
ethane;methyl 2-acetamido-3-phenylpropanoate;N-methylmethanamine
CID 91439308
methyl (2R)-2-acetamido-3-phenylsulfanylpropanoate
CID 2723737
methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate
CID 65442964
methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate
CID 63030085
methyl 2-(N-acetyl-2-methylanilino)acetate
CID 20717630

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(N,2-dimethylanilino)propanoate?
The IUPAC name of methyl 2-acetamido-3-(N,2-dimethylanilino)propanoate (CID 65473235) is methyl 2-acetamido-3-(N,2-dimethylanilino)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(N,2-dimethylanilino)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(N,2-dimethylanilino)propanoate is COC(=O)C(CN(C)c1ccccc1C)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(N,2-dimethylanilino)propanoate?
The InChIKey is FLVWKJQJLHPKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-7-5-6-8-13(10)16(3)9-12(14(18)19-4)15-11(2)17/h5-8,12H,9H2,1-4H3,(H,15,17).
What are the key properties of methyl 2-acetamido-3-(N,2-dimethylanilino)propanoate?
methyl 2-acetamido-3-(N,2-dimethylanilino)propanoate has a molecular weight of 264.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(N,2-dimethylanilino)propanoate is sourced from PubChem (CID 65473235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).