[(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate

C18H19NO5 — CID 30505335

IUPAC[(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate
SMILESCC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)C1CCC1
InChIInChI=1S/C18H19NO5/c1-10(20)16-15(13-8-3-4-9-14(13)24-16)19-17(21)11(2)23-18(22)12-6-5-7-12/h3-4,8-9,11-12H,5-7H2,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyUGNYFGOHUHGUEO-LLVKDONJSA-N
MW329.35 g/mol
LogP3.31
Rot. Bonds5

About [(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate

[(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate (PubChem CID 30505335) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is [(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate
PubChem CID30505335
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name[(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate
SMILESCC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)C1CCC1
InChIInChI=1S/C18H19NO5/c1-10(20)16-15(13-8-3-4-9-14(13)24-16)19-17(21)11(2)23-18(22)12-6-5-7-12/h3-4,8-9,11-12H,5-7H2,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyUGNYFGOHUHGUEO-LLVKDONJSA-N
XLogP3.31
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate with MolForge

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Related Compounds

[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717571
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[1-(2-methylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 154754678
N-(2-acetyl-1-benzofuran-3-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
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[(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2511050
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717472
[1-oxo-1-(2-phenylanilino)propan-2-yl] cyclobutanecarboxylate
CID 42900719
[1-[(9,10-dioxoanthracen-1-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 55372469
N-(2-acetyl-1-benzofuran-3-yl)-2-piperidin-1-ylacetamide;hydrochloride
CID 2916581
N-(2-acetyl-1-benzofuran-3-yl)-2-[3-hydroxybutyl(methyl)amino]propanamide
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[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 7717348
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 7717359

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate?
The IUPAC name of [(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate (CID 30505335) is [(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate.
What is the SMILES notation for [(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate?
The canonical SMILES for [(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate is CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)OC(=O)C1CCC1.
What is the InChIKey of [(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate?
The InChIKey is UGNYFGOHUHGUEO-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19NO5/c1-10(20)16-15(13-8-3-4-9-14(13)24-16)19-17(21)11(2)23-18(22)12-6-5-7-12/h3-4,8-9,11-12H,5-7H2,1-2H3,(H,19,21)/t11-/m1/s1.
What are the key properties of [(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate?
[(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate has a molecular weight of 329.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2-acetyl-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate is sourced from PubChem (CID 30505335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).