4-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid

C16H23NO4 — CID 114511535

IUPAC4-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NC(C)Cc2ccco2)C1
InChIInChI=1S/C16H23NO4/c1-3-11-8-13(14(9-11)16(19)20)15(18)17-10(2)7-12-5-4-6-21-12/h4-6,10-11,13-14H,3,7-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGPCGUYQDSUZPLI-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.46
Rot. Bonds6

About 4-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid

4-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114511535) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114511535
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NC(C)Cc2ccco2)C1
InChIInChI=1S/C16H23NO4/c1-3-11-8-13(14(9-11)16(19)20)15(18)17-10(2)7-12-5-4-6-21-12/h4-6,10-11,13-14H,3,7-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGPCGUYQDSUZPLI-UHFFFAOYSA-N
XLogP2.46
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-[1-(furan-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511419
N-[1-(furan-2-yl)propan-2-yl]-2-methylpiperidine-4-carboxamide
CID 106738994
4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511550
N-[1-(furan-2-yl)propan-2-yl]-4-methylpiperidine-2-carboxamide
CID 114423030
1-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096088
2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511694
cis-(1R,2S)-4-ethyl-2-(pent-4-en-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114092876
2-(azetidin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 64617974
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
(E)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylpent-2-enamide
CID 98205277
cis-(1S,2R)-2-[1-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114091892
N-[1-(furan-2-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43705208

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid (CID 114511535) is 4-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)NC(C)Cc2ccco2)C1.
What is the InChIKey of 4-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is GPCGUYQDSUZPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-11-8-13(14(9-11)16(19)20)15(18)17-10(2)7-12-5-4-6-21-12/h4-6,10-11,13-14H,3,7-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid?
4-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).