butyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]amino]benzoate

C19H26N2O5 — CID 108503933

IUPACbutyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C19H26N2O5/c1-4-5-10-25-19(24)15-8-6-7-9-16(15)20-17(22)18(23)21-11-13(2)26-14(3)12-21/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,20,22)
InChIKeyHDXXFWQEEKATAB-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.22
Rot. Bonds5

About butyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]amino]benzoate

butyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]amino]benzoate (PubChem CID 108503933) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is butyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]amino]benzoate
PubChem CID108503933
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namebutyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C19H26N2O5/c1-4-5-10-25-19(24)15-8-6-7-9-16(15)20-17(22)18(23)21-11-13(2)26-14(3)12-21/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,20,22)
InChIKeyHDXXFWQEEKATAB-UHFFFAOYSA-N
XLogP2.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]amino]benzoate with MolForge

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Related Compounds

butyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
CID 108514590
butyl 2-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]amino]benzoate
CID 108514709
butyl 2-[[2-oxo-2-(pyrimidin-2-ylamino)acetyl]amino]benzoate
CID 108514572
butyl 4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoate
CID 47039962
butyl 2-[[2-[tert-butyl(ethyl)amino]-2-oxoacetyl]amino]benzoate
CID 108514658
butyl 2-[(4-carbamoylpiperidine-1-carbonyl)amino]benzoate
CID 3838122
2-(2,6-dimethylmorpholin-4-yl)-N-[2-(N-methylanilino)phenyl]-2-oxoacetamide
CID 71889091
butyl 2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoacetyl]amino]benzoate
CID 108514593
butyl 2-[[2-[4-(dimethylamino)anilino]-2-oxoacetyl]amino]benzoate
CID 108514620
butyl 2-[[2-(N-ethylanilino)-2-oxoacetyl]amino]benzoate
CID 108514559
butyl 2-[[2-(2,5-dichloroanilino)-2-oxoacetyl]amino]benzoate
CID 108500944
butyl 2-[[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)acetyl]amino]benzoate
CID 108514607

Frequently Asked Questions

What is the IUPAC name of butyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]amino]benzoate?
The IUPAC name of butyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]amino]benzoate (CID 108503933) is butyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for butyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]amino]benzoate?
The canonical SMILES for butyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]amino]benzoate is CCCCOC(=O)c1ccccc1NC(=O)C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of butyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]amino]benzoate?
The InChIKey is HDXXFWQEEKATAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-4-5-10-25-19(24)15-8-6-7-9-16(15)20-17(22)18(23)21-11-13(2)26-14(3)12-21/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,20,22).
What are the key properties of butyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]amino]benzoate?
butyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]amino]benzoate has a molecular weight of 362.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108503933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).