[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate

C15H21N3O4 — CID 3919697

IUPAC[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H21N3O4/c1-5-16-15(21)17-13(19)10(2)22-14(20)11-7-6-8-12(9-11)18(3)4/h6-10H,5H2,1-4H3,(H2,16,17,19,21)
InChIKeyRMWUGFIULDOJFH-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.14
Rot. Bonds5

About [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate (PubChem CID 3919697) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate.

Molecular Properties

Compound Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
PubChem CID3919697
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H21N3O4/c1-5-16-15(21)17-13(19)10(2)22-14(20)11-7-6-8-12(9-11)18(3)4/h6-10H,5H2,1-4H3,(H2,16,17,19,21)
InChIKeyRMWUGFIULDOJFH-UHFFFAOYSA-N
XLogP1.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate with MolForge

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Related Compounds

[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-methylbenzoate
CID 2562979
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 2503937
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577637
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 2518726
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 2579679
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 7260959
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 7260798
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 60625551
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 7260963
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 2518750
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2609316
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55508447

Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate?
The IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate (CID 3919697) is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate.
What is the SMILES notation for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate?
The canonical SMILES for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate is CCNC(=O)NC(=O)C(C)OC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate?
The InChIKey is RMWUGFIULDOJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-5-16-15(21)17-13(19)10(2)22-14(20)11-7-6-8-12(9-11)18(3)4/h6-10H,5H2,1-4H3,(H2,16,17,19,21).
What are the key properties of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate?
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate has a molecular weight of 307.35 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate is sourced from PubChem (CID 3919697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).