[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate

C19H20N2O5 — CID 55316402

IUPAC[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
SMILESCC(OC(=O)CCOc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H20N2O5/c1-13(19(24)21-15-9-7-14(8-10-15)18(20)23)26-17(22)11-12-25-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H2,20,23)(H,21,24)
InChIKeyRGJDUOICGXPWRE-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.12
Rot. Bonds8

About [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate

[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate (PubChem CID 55316402) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate.

Molecular Properties

Compound Name[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
PubChem CID55316402
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
SMILESCC(OC(=O)CCOc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H20N2O5/c1-13(19(24)21-15-9-7-14(8-10-15)18(20)23)26-17(22)11-12-25-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H2,20,23)(H,21,24)
InChIKeyRGJDUOICGXPWRE-UHFFFAOYSA-N
XLogP2.12
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139840
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate
CID 46514008
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate
CID 7840308
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139859
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 7185654
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
CID 16609295
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-(4-tert-butylphenoxy)butanoate
CID 7147575
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 7729395
[1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 55316551
[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 46810368
[1-(4-methylanilino)-1-oxopropan-2-yl] 3-(4-ethoxyphenoxy)propanoate
CID 16535238
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 7796305

Frequently Asked Questions

What is the IUPAC name of [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate?
The IUPAC name of [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate (CID 55316402) is [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate.
What is the SMILES notation for [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate?
The canonical SMILES for [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate is CC(OC(=O)CCOc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate?
The InChIKey is RGJDUOICGXPWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-13(19(24)21-15-9-7-14(8-10-15)18(20)23)26-17(22)11-12-25-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate?
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate has a molecular weight of 356.38 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate is sourced from PubChem (CID 55316402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).