methyl 3-[[4-[(2,5-dimethylmorpholine-4-carbonyl)amino]benzoyl]amino]propanoate

C18H25N3O5 — CID 154751575

IUPACmethyl 3-[[4-[(2,5-dimethylmorpholine-4-carbonyl)amino]benzoyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccc(NC(=O)N2CC(C)OCC2C)cc1
InChIInChI=1S/C18H25N3O5/c1-12-11-26-13(2)10-21(12)18(24)20-15-6-4-14(5-7-15)17(23)19-9-8-16(22)25-3/h4-7,12-13H,8-11H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyUDLNFAJVEXXFPQ-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.62
Rot. Bonds5

About methyl 3-[[4-[(2,5-dimethylmorpholine-4-carbonyl)amino]benzoyl]amino]propanoate

methyl 3-[[4-[(2,5-dimethylmorpholine-4-carbonyl)amino]benzoyl]amino]propanoate (PubChem CID 154751575) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is methyl 3-[[4-[(2,5-dimethylmorpholine-4-carbonyl)amino]benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[4-[(2,5-dimethylmorpholine-4-carbonyl)amino]benzoyl]amino]propanoate
PubChem CID154751575
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Namemethyl 3-[[4-[(2,5-dimethylmorpholine-4-carbonyl)amino]benzoyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccc(NC(=O)N2CC(C)OCC2C)cc1
InChIInChI=1S/C18H25N3O5/c1-12-11-26-13(2)10-21(12)18(24)20-15-6-4-14(5-7-15)17(23)19-9-8-16(22)25-3/h4-7,12-13H,8-11H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyUDLNFAJVEXXFPQ-UHFFFAOYSA-N
XLogP1.62
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[4-[(2,5-dimethylmorpholine-4-carbonyl)amino]benzoyl]amino]propanoate with MolForge

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Related Compounds

methyl 3-[[4-[(3-ethylpiperidine-1-carbonyl)amino]benzoyl]amino]propanoate
CID 55698633
N-(3-acetylphenyl)-2,5-dimethylmorpholine-4-carboxamide
CID 61345863
methyl 3-[[4-[(2-aminoacetyl)amino]benzoyl]amino]propanoate;hydrochloride
CID 119277484
methyl 3-[[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]benzoyl]amino]propanoate
CID 120785396
methyl 3-[[4-(4-aminobutanoylamino)benzoyl]amino]propanoate
CID 119277505
methyl 6-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]hexanoate
CID 31840944
2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide
CID 81217697
methyl 3-[[4-[[(2S)-2-amino-3-methylbutanoyl]amino]benzoyl]amino]propanoate;hydrochloride
CID 119277502
(2R)-N-[4-(2-methoxyethylcarbamoyl)phenyl]-2-methyl-5-oxo-1,4-diazepane-1-carboxamide
CID 97443503
methyl 3-[[4-[(4-amino-3-methoxybutanoyl)amino]benzoyl]amino]propanoate
CID 120587768
methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride
CID 119701343
methyl 4-(2,5-dimethylmorpholin-4-yl)butanoate
CID 43544788

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[(2,5-dimethylmorpholine-4-carbonyl)amino]benzoyl]amino]propanoate?
The IUPAC name of methyl 3-[[4-[(2,5-dimethylmorpholine-4-carbonyl)amino]benzoyl]amino]propanoate (CID 154751575) is methyl 3-[[4-[(2,5-dimethylmorpholine-4-carbonyl)amino]benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[4-[(2,5-dimethylmorpholine-4-carbonyl)amino]benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-[[4-[(2,5-dimethylmorpholine-4-carbonyl)amino]benzoyl]amino]propanoate is COC(=O)CCNC(=O)c1ccc(NC(=O)N2CC(C)OCC2C)cc1.
What is the InChIKey of methyl 3-[[4-[(2,5-dimethylmorpholine-4-carbonyl)amino]benzoyl]amino]propanoate?
The InChIKey is UDLNFAJVEXXFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-12-11-26-13(2)10-21(12)18(24)20-15-6-4-14(5-7-15)17(23)19-9-8-16(22)25-3/h4-7,12-13H,8-11H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of methyl 3-[[4-[(2,5-dimethylmorpholine-4-carbonyl)amino]benzoyl]amino]propanoate?
methyl 3-[[4-[(2,5-dimethylmorpholine-4-carbonyl)amino]benzoyl]amino]propanoate has a molecular weight of 363.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[(2,5-dimethylmorpholine-4-carbonyl)amino]benzoyl]amino]propanoate is sourced from PubChem (CID 154751575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).