methyl 3-[dimethylamino-(2-phenylacetyl)amino]propanoate

C14H20N2O3 — CID 21149871

IUPACmethyl 3-[dimethylamino-(2-phenylacetyl)amino]propanoate
SMILESCOC(=O)CCN(C(=O)Cc1ccccc1)N(C)C
InChIInChI=1S/C14H20N2O3/c1-15(2)16(10-9-14(18)19-3)13(17)11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyFIUCJEWRNOTKEN-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.10
Rot. Bonds6

About methyl 3-[dimethylamino-(2-phenylacetyl)amino]propanoate

methyl 3-[dimethylamino-(2-phenylacetyl)amino]propanoate (PubChem CID 21149871) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 3-[dimethylamino-(2-phenylacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[dimethylamino-(2-phenylacetyl)amino]propanoate
PubChem CID21149871
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 3-[dimethylamino-(2-phenylacetyl)amino]propanoate
SMILESCOC(=O)CCN(C(=O)Cc1ccccc1)N(C)C
InChIInChI=1S/C14H20N2O3/c1-15(2)16(10-9-14(18)19-3)13(17)11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyFIUCJEWRNOTKEN-UHFFFAOYSA-N
XLogP1.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 3-[dimethylamino-(2-phenylacetyl)amino]propanoate 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

N,N-Diethyl-2-phenylacetamide
CID 17076
Benzoic acid, 1-(3-methoxy-3-oxopropyl)-2,2-dimethylhydrazide
CID 13670212
Methyl 3-(1-benzoyl-2,2-dimethylhydrazinyl)-2-methylpropanoate
CID 13670218
Benzoic acid, 2-fluoro-, 1-(3-methoxy-2-methyl-3-oxopropyl)-2,2-dimethylhydrazide
CID 13670219
Benzoic acid, 1-(3-ethoxy-3-oxopropyl)-2,2-dimethylhydrazide
CID 24835171
Benzoic acid, 2-fluoro-, 1-(3-methoxy-3-oxopropyl)-2,2-dimethylhydrazide
CID 24835172
Phenylacetamide, N,N-dibutyl-
CID 533102
Benzoic acid, 2-fluoro-, 1-(3-ethoxy-3-oxopropyl)-2,2-dimethylhydrazide
CID 13670221
N,N'-Dimethyl-2-phenyl-N'-(phenylacetyl)acetohydrazide
CID 6611252
Acetamide, 2-phenyl-N-butyl-N-propyl-
CID 85640339
(2S)-2-methyl-3-[methyl-[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 94420224
N-ethyl-2-(4-fluorophenyl)acetohydrazide
CID 142909163

Frequently Asked Questions

What is the IUPAC name of methyl 3-[dimethylamino-(2-phenylacetyl)amino]propanoate?
The IUPAC name of methyl 3-[dimethylamino-(2-phenylacetyl)amino]propanoate (CID 21149871) is methyl 3-[dimethylamino-(2-phenylacetyl)amino]propanoate.
What is the SMILES notation for methyl 3-[dimethylamino-(2-phenylacetyl)amino]propanoate?
The canonical SMILES for methyl 3-[dimethylamino-(2-phenylacetyl)amino]propanoate is COC(=O)CCN(C(=O)Cc1ccccc1)N(C)C.
What is the InChIKey of methyl 3-[dimethylamino-(2-phenylacetyl)amino]propanoate?
The InChIKey is FIUCJEWRNOTKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15(2)16(10-9-14(18)19-3)13(17)11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3.
What are the key properties of methyl 3-[dimethylamino-(2-phenylacetyl)amino]propanoate?
methyl 3-[dimethylamino-(2-phenylacetyl)amino]propanoate has a molecular weight of 264.32 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[dimethylamino-(2-phenylacetyl)amino]propanoate is sourced from PubChem (CID 21149871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).