methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate

C15H20N2O3 — CID 60565095

IUPACmethyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
SMILESC=CCNC(=O)CN(CC(=O)OC)Cc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-3-9-16-14(18)11-17(12-15(19)20-2)10-13-7-5-4-6-8-13/h3-8H,1,9-12H2,2H3,(H,16,18)
InChIKeyZABWIOFWEQBSEW-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.96
Rot. Bonds8

About methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate

methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate (PubChem CID 60565095) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
PubChem CID60565095
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
SMILESC=CCNC(=O)CN(CC(=O)OC)Cc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-3-9-16-14(18)11-17(12-15(19)20-2)10-13-7-5-4-6-8-13/h3-8H,1,9-12H2,2H3,(H,16,18)
InChIKeyZABWIOFWEQBSEW-UHFFFAOYSA-N
XLogP0.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]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 2-[(2-chlorophenyl)methyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
CID 60565505
methyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 10798914
2-[benzyl(methyl)amino]-N-prop-2-enylacetamide
CID 51072751
methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60565339
methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate
CID 51091360
methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate
CID 78815356
methyl 2-[benzyl(prop-2-ynyl)amino]acetate
CID 87487327
methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate
CID 142841781
methyl 2-[[2-[bis(2-methoxy-2-oxoethyl)amino]-2-[[bis(2-methoxy-2-oxoethyl)amino]methyl]-3-(dibenzylamino)propyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 67493893
N'-benzyl-N'-methyl-N-prop-2-enyloxamide
CID 108518780
tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 134867312
2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide
CID 27239631

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate?
The IUPAC name of methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate (CID 60565095) is methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate.
What is the SMILES notation for methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate?
The canonical SMILES for methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate is C=CCNC(=O)CN(CC(=O)OC)Cc1ccccc1.
What is the InChIKey of methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate?
The InChIKey is ZABWIOFWEQBSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-9-16-14(18)11-17(12-15(19)20-2)10-13-7-5-4-6-8-13/h3-8H,1,9-12H2,2H3,(H,16,18).
What are the key properties of methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate?
methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate has a molecular weight of 276.34 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate is sourced from PubChem (CID 60565095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).