methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate

C19H20N2O3 — CID 15899479

IUPACmethyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)CN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-21(14-18(23)24-2)17(22)13-20-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyUUGKQDGUAPYTBK-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.16
Rot. Bonds6

About methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate

methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate (PubChem CID 15899479) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate
PubChem CID15899479
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namemethyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)CN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-21(14-18(23)24-2)17(22)13-20-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyUUGKQDGUAPYTBK-UHFFFAOYSA-N
XLogP2.16
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]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

[2-(benzhydrylideneamino)acetyl] 2-(benzhydrylideneamino)acetate
CID 118304725
methyl 2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]acetate
CID 43409770
methyl 5-[(benzhydrylideneamino)methyl]hex-5-enoate
CID 102486039
methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 177128218
2-(benzhydrylideneamino)acetic acid
CID 118304722
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-methylamino]acetate
CID 93373727
methyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate
CID 141348967
methyl 2-[methyl(2-phenylpropanoyl)amino]acetate
CID 104916610
methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate
CID 43409761
methyl 2-[methyl-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]amino]acetate
CID 42192377
methyl 2-[[3-(2-chlorophenyl)-3-phenylpropanoyl]-methylamino]acetate
CID 45204448
methyl 2-[methyl(propanoyl)amino]acetate
CID 43407357

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate (CID 15899479) is methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate is COC(=O)CN(C)C(=O)CN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate?
The InChIKey is UUGKQDGUAPYTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-21(14-18(23)24-2)17(22)13-20-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3.
What are the key properties of methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate?
methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate has a molecular weight of 324.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(benzhydrylideneamino)acetyl]-methylamino]acetate is sourced from PubChem (CID 15899479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).