[1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate

C16H20N2O4 — CID 24979168

IUPAC[1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
SMILESCC(OC(=O)C1CCCC1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H20N2O4/c1-10(22-16(21)12-4-2-3-5-12)15(20)18-13-8-6-11(7-9-13)14(17)19/h6-10,12H,2-5H2,1H3,(H2,17,19)(H,18,20)
InChIKeyBLARDQZXECGSBZ-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.85
Rot. Bonds5

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

[1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate (PubChem CID 24979168) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is [1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
PubChem CID24979168
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name[1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
SMILESCC(OC(=O)C1CCCC1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H20N2O4/c1-10(22-16(21)12-4-2-3-5-12)15(20)18-13-8-6-11(7-9-13)14(17)19/h6-10,12H,2-5H2,1H3,(H2,17,19)(H,18,20)
InChIKeyBLARDQZXECGSBZ-UHFFFAOYSA-N
XLogP1.85
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-p-Tolylcarbamoyl-butyric acid 1-methyl-2-oxo-2-phenyl-ethyl ester
CID 2901381
N-[4-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 4916601
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] 2-cyclopentylacetate
CID 2343268
[2-(4-Acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2380175
[2-(4-Carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate
CID 2416940
[2-(2-Acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2511241
N-(4-acetylphenyl)oxolane-2-carboxamide
CID 3155118
[2-(4-Carbamoylanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 3576629
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 4348741
[2-[4-(Dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 4795120
[2-[4-(3-Methylbutanoylamino)phenyl]-2-oxoethyl] cyclobutanecarboxylate
CID 7717310
[2-(4-Acetamido-2-fluorophenyl)-2-oxoethyl] cyclohexanecarboxylate
CID 8220578

Frequently Asked Questions

What is the IUPAC name of [1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
The IUPAC name of [1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate (CID 24979168) is [1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate.
What is the SMILES notation for [1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
The canonical SMILES for [1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate is CC(OC(=O)C1CCCC1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of [1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
The InChIKey is BLARDQZXECGSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10(22-16(21)12-4-2-3-5-12)15(20)18-13-8-6-11(7-9-13)14(17)19/h6-10,12H,2-5H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of [1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate has a molecular weight of 304.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate is sourced from PubChem (CID 24979168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).