methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate

C23H27N3O5 — CID 16893069

IUPACmethyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C23H27N3O5/c1-30-23(29)18-8-10-19(11-9-18)25-22(28)21(27)24-12-5-13-26-14-15-31-20(16-26)17-6-3-2-4-7-17/h2-4,6-11,20H,5,12-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyGCBYJZKXUCEMAR-UHFFFAOYSA-N
MW425.49 g/mol
LogP1.99
Rot. Bonds7

About methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate

methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate (PubChem CID 16893069) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate
PubChem CID16893069
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Namemethyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C23H27N3O5/c1-30-23(29)18-8-10-19(11-9-18)25-22(28)21(27)24-12-5-13-26-14-15-31-20(16-26)17-6-3-2-4-7-17/h2-4,6-11,20H,5,12-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyGCBYJZKXUCEMAR-UHFFFAOYSA-N
XLogP1.99
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate 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'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide
CID 27557843
4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27441296
N'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide
CID 27557681
4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 30851064
1-(4-ethoxyphenyl)-3-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]urea
CID 93480907
N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide
CID 27532480
N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 27463009
N'-(2-methylsulfanylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16893134
3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892558
N'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide
CID 27557780
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27557975
N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide
CID 51866471

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate (CID 16893069) is methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCOC(c3ccccc3)C2)cc1.
What is the InChIKey of methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate?
The InChIKey is GCBYJZKXUCEMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-30-23(29)18-8-10-19(11-9-18)25-22(28)21(27)24-12-5-13-26-14-15-31-20(16-26)17-6-3-2-4-7-17/h2-4,6-11,20H,5,12-16H2,1H3,(H,24,27)(H,25,28).
What are the key properties of methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate?
methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate has a molecular weight of 425.49 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate is sourced from PubChem (CID 16893069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).