methyl 2-[methyl(2-phenylbutanoyl)amino]acetate

C14H19NO3 — CID 43422766

IUPACmethyl 2-[methyl(2-phenylbutanoyl)amino]acetate
SMILESCCC(C(=O)N(C)CC(=O)OC)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-4-12(11-8-6-5-7-9-11)14(17)15(2)10-13(16)18-3/h5-9,12H,4,10H2,1-3H3
InChIKeyVDUWSIFSFARPJO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.81
Rot. Bonds5

About methyl 2-[methyl(2-phenylbutanoyl)amino]acetate

methyl 2-[methyl(2-phenylbutanoyl)amino]acetate (PubChem CID 43422766) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-[methyl(2-phenylbutanoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(2-phenylbutanoyl)amino]acetate
PubChem CID43422766
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 2-[methyl(2-phenylbutanoyl)amino]acetate
SMILESCCC(C(=O)N(C)CC(=O)OC)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-4-12(11-8-6-5-7-9-11)14(17)15(2)10-13(16)18-3/h5-9,12H,4,10H2,1-3H3
InChIKeyVDUWSIFSFARPJO-UHFFFAOYSA-N
XLogP1.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[methyl(2-phenylbutanoyl)amino]acetate 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

methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate
CID 54980359
methyl 2-[methyl(2-phenylpropanoyl)amino]acetate
CID 104916610
methyl 2-[(2-methoxy-2-phenylacetyl)-methylamino]acetate
CID 60777893
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate
CID 93373727
methyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate
CID 42192377
methyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate
CID 45204448
(2S)-4-methoxy-4-oxo-2-(2-phenylbutanoylamino)butanoic acid
CID 63307236
N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide
CID 54990929
3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
CID 62877301
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide
CID 78789416
ethyl 2-[2-phenylbutanoyl(propyl)amino]acetate
CID 61008627
methyl 2-[2-bromobutanoyl(methyl)amino]acetate
CID 62856810

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(2-phenylbutanoyl)amino]acetate?
The IUPAC name of methyl 2-[methyl(2-phenylbutanoyl)amino]acetate (CID 43422766) is methyl 2-[methyl(2-phenylbutanoyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(2-phenylbutanoyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(2-phenylbutanoyl)amino]acetate is CCC(C(=O)N(C)CC(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-[methyl(2-phenylbutanoyl)amino]acetate?
The InChIKey is VDUWSIFSFARPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-12(11-8-6-5-7-9-11)14(17)15(2)10-13(16)18-3/h5-9,12H,4,10H2,1-3H3.
What are the key properties of methyl 2-[methyl(2-phenylbutanoyl)amino]acetate?
methyl 2-[methyl(2-phenylbutanoyl)amino]acetate has a molecular weight of 249.31 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(2-phenylbutanoyl)amino]acetate is sourced from PubChem (CID 43422766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).