[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate

C17H23N3O6 — CID 55320290

IUPAC[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)CNC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C17H23N3O6/c1-4-18-17(24)20-15(22)11(3)26-14(21)10-19-16(23)12-6-8-13(9-7-12)25-5-2/h6-9,11H,4-5,10H2,1-3H3,(H,19,23)(H2,18,20,22,24)
InChIKeyIZFOGMIQOJVWIJ-UHFFFAOYSA-N
MW365.39 g/mol
LogP0.59
Rot. Bonds8

About [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 55320290) has the molecular formula C17H23N3O6 and a molecular weight of 365.39 g/mol. Its IUPAC name is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID55320290
Molecular FormulaC17H23N3O6
Molecular Weight365.39 g/mol
Exact Mass365.16
IUPAC Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)CNC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C17H23N3O6/c1-4-18-17(24)20-15(22)11(3)26-14(21)10-19-16(23)12-6-8-13(9-7-12)25-5-2/h6-9,11H,4-5,10H2,1-3H3,(H,19,23)(H2,18,20,22,24)
InChIKeyIZFOGMIQOJVWIJ-UHFFFAOYSA-N
XLogP0.59
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 8943779
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884563
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 55320179
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884811
[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7899514
[1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 42969062
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-butoxybenzoate
CID 15978144
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-butoxybenzoate
CID 2585392
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate
CID 55307494
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884737
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate
CID 46789085
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885655

Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate (CID 55320290) is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate is CCNC(=O)NC(=O)C(C)OC(=O)CNC(=O)c1ccc(OCC)cc1.
What is the InChIKey of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is IZFOGMIQOJVWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6/c1-4-18-17(24)20-15(22)11(3)26-14(21)10-19-16(23)12-6-8-13(9-7-12)25-5-2/h6-9,11H,4-5,10H2,1-3H3,(H,19,23)(H2,18,20,22,24).
What are the key properties of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate?
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 365.39 g/mol, XLogP of 0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 55320290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).