[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate

C22H24N2O6 — CID 43015008

IUPAC[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCC(=O)c1ccc(-c2ccc(C(=O)OC(C)C(=O)NC(=O)NC3CCCC3)o2)cc1
InChIInChI=1S/C22H24N2O6/c1-13(25)15-7-9-16(10-8-15)18-11-12-19(30-18)21(27)29-14(2)20(26)24-22(28)23-17-5-3-4-6-17/h7-12,14,17H,3-6H2,1-2H3,(H2,23,24,26,28)
InChIKeyPAOVIXXXFQFLJI-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.46
Rot. Bonds6

About [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate

[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate (PubChem CID 43015008) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
PubChem CID43015008
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCC(=O)c1ccc(-c2ccc(C(=O)OC(C)C(=O)NC(=O)NC3CCCC3)o2)cc1
InChIInChI=1S/C22H24N2O6/c1-13(25)15-7-9-16(10-8-15)18-11-12-19(30-18)21(27)29-14(2)20(26)24-22(28)23-17-5-3-4-6-17/h7-12,14,17H,3-6H2,1-2H3,(H2,23,24,26,28)
InChIKeyPAOVIXXXFQFLJI-UHFFFAOYSA-N
XLogP3.46
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate with MolForge

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Related Compounds

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727900
[1-(cycloheptylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 18091724
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 55358871
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133587
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727944
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8950868
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 9063212
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-cyanobenzoate
CID 26761509
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 2628765
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8951023
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8950966
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 40616563

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
The IUPAC name of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate (CID 43015008) is [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate.
What is the SMILES notation for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
The canonical SMILES for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate is CC(=O)c1ccc(-c2ccc(C(=O)OC(C)C(=O)NC(=O)NC3CCCC3)o2)cc1.
What is the InChIKey of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
The InChIKey is PAOVIXXXFQFLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-13(25)15-7-9-16(10-8-15)18-11-12-19(30-18)21(27)29-14(2)20(26)24-22(28)23-17-5-3-4-6-17/h7-12,14,17H,3-6H2,1-2H3,(H2,23,24,26,28).
What are the key properties of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate has a molecular weight of 412.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate is sourced from PubChem (CID 43015008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).