[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate

C18H22N2O6 — CID 46513958

IUPAC[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate
SMILESCC(=O)c1ccc(OCCC(=O)OC(C)C(=O)NC(=O)NC2CC2)cc1
InChIInChI=1S/C18H22N2O6/c1-11(21)13-3-7-15(8-4-13)25-10-9-16(22)26-12(2)17(23)20-18(24)19-14-5-6-14/h3-4,7-8,12,14H,5-6,9-10H2,1-2H3,(H2,19,20,23,24)
InChIKeyNWIDFPAOXXXVSM-UHFFFAOYSA-N
MW362.38 g/mol
LogP1.58
Rot. Bonds8

About [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate

[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate (PubChem CID 46513958) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate.

Molecular Properties

Compound Name[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate
PubChem CID46513958
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Name[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate
SMILESCC(=O)c1ccc(OCCC(=O)OC(C)C(=O)NC(=O)NC2CC2)cc1
InChIInChI=1S/C18H22N2O6/c1-11(21)13-3-7-15(8-4-13)25-10-9-16(22)26-12(2)17(23)20-18(24)19-14-5-6-14/h3-4,7-8,12,14H,5-6,9-10H2,1-2H3,(H2,19,20,23,24)
InChIKeyNWIDFPAOXXXVSM-UHFFFAOYSA-N
XLogP1.58
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate with MolForge

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Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate
CID 7196348
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
CID 7840625
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 7211747
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-butoxybenzoate
CID 7844796
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenoxy)butanoate
CID 7147278
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
CID 8731275
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133115
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate
CID 46514008
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 7841458
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate
CID 46789085
[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate
CID 46513922
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8553461

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate?
The IUPAC name of [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate (CID 46513958) is [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate.
What is the SMILES notation for [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate?
The canonical SMILES for [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate is CC(=O)c1ccc(OCCC(=O)OC(C)C(=O)NC(=O)NC2CC2)cc1.
What is the InChIKey of [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate?
The InChIKey is NWIDFPAOXXXVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6/c1-11(21)13-3-7-15(8-4-13)25-10-9-16(22)26-12(2)17(23)20-18(24)19-14-5-6-14/h3-4,7-8,12,14H,5-6,9-10H2,1-2H3,(H2,19,20,23,24).
What are the key properties of [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate?
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate has a molecular weight of 362.38 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-acetylphenoxy)propanoate is sourced from PubChem (CID 46513958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).