[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate

C17H25N3O4 — CID 9228838

IUPAC[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate
SMILESCCCNC(=O)[C@@H](C)NC(=O)COC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C17H25N3O4/c1-5-9-18-16(22)12(2)19-15(21)11-24-17(23)13-7-6-8-14(10-13)20(3)4/h6-8,10,12H,5,9,11H2,1-4H3,(H,18,22)(H,19,21)/t12-/m1/s1
InChIKeyLAGUDIAXLXOFLQ-GFCCVEGCSA-N
MW335.40 g/mol
LogP0.94
Rot. Bonds8

About [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate

[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate (PubChem CID 9228838) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate
PubChem CID9228838
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate
SMILESCCCNC(=O)[C@@H](C)NC(=O)COC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C17H25N3O4/c1-5-9-18-16(22)12(2)19-15(21)11-24-17(23)13-7-6-8-14(10-13)20(3)4/h6-8,10,12H,5,9,11H2,1-4H3,(H,18,22)(H,19,21)/t12-/m1/s1
InChIKeyLAGUDIAXLXOFLQ-GFCCVEGCSA-N
XLogP0.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate with MolForge

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Related Compounds

[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylsulfamoyl)benzoate
CID 9017791
[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(trifluoromethyl)benzoate
CID 9014607
[2-oxo-2-(pentylamino)ethyl] 3-(dimethylamino)benzoate
CID 9228871
[2-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 9228820
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-(dimethylamino)benzoate
CID 7594646
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 6-chloropyridine-3-carboxylate
CID 9201685
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2518897
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 3-fluorobenzoate
CID 9198588
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 8808664
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 8529565
[2-(2-methoxyethylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2518580
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8729317

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate?
The IUPAC name of [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate (CID 9228838) is [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate.
What is the SMILES notation for [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate?
The canonical SMILES for [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate is CCCNC(=O)[C@@H](C)NC(=O)COC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate?
The InChIKey is LAGUDIAXLXOFLQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-5-9-18-16(22)12(2)19-15(21)11-24-17(23)13-7-6-8-14(10-13)20(3)4/h6-8,10,12H,5,9,11H2,1-4H3,(H,18,22)(H,19,21)/t12-/m1/s1.
What are the key properties of [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate?
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate has a molecular weight of 335.40 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate is sourced from PubChem (CID 9228838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).