2-ethyl-5-[(2-methoxycyclopentyl)methylcarbamoyl]furan-3-carboxylic acid

C15H21NO5 — CID 120822565

IUPAC2-ethyl-5-[(2-methoxycyclopentyl)methylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCC2CCCC2OC)cc1C(=O)O
InChIInChI=1S/C15H21NO5/c1-3-11-10(15(18)19)7-13(21-11)14(17)16-8-9-5-4-6-12(9)20-2/h7,9,12H,3-6,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyLNTINLHMRFXVAI-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.09
Rot. Bonds6

About 2-ethyl-5-[(2-methoxycyclopentyl)methylcarbamoyl]furan-3-carboxylic acid

2-ethyl-5-[(2-methoxycyclopentyl)methylcarbamoyl]furan-3-carboxylic acid (PubChem CID 120822565) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-ethyl-5-[(2-methoxycyclopentyl)methylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[(2-methoxycyclopentyl)methylcarbamoyl]furan-3-carboxylic acid
PubChem CID120822565
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name2-ethyl-5-[(2-methoxycyclopentyl)methylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCC2CCCC2OC)cc1C(=O)O
InChIInChI=1S/C15H21NO5/c1-3-11-10(15(18)19)7-13(21-11)14(17)16-8-9-5-4-6-12(9)20-2/h7,9,12H,3-6,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyLNTINLHMRFXVAI-UHFFFAOYSA-N
XLogP2.09
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid
CID 120820543
5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid
CID 120822323
2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120822184
2-ethyl-5-[(2-methylcyclohexyl)carbamoyl]furan-3-carboxylic acid
CID 120820629
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822564
2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid
CID 120821091
2-ethyl-5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120820753
2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120821645
2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120821415
N-[(2-methoxycyclopentyl)methyl]acetamide
CID 130918496
2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid
CID 120820781
5-tert-butyl-N-[[(1S,2R)-2-methoxycyclopentyl]methyl]-1,2-oxazole-3-carboxamide
CID 97257057

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(2-methoxycyclopentyl)methylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[(2-methoxycyclopentyl)methylcarbamoyl]furan-3-carboxylic acid (CID 120822565) is 2-ethyl-5-[(2-methoxycyclopentyl)methylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[(2-methoxycyclopentyl)methylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[(2-methoxycyclopentyl)methylcarbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NCC2CCCC2OC)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[(2-methoxycyclopentyl)methylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is LNTINLHMRFXVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-3-11-10(15(18)19)7-13(21-11)14(17)16-8-9-5-4-6-12(9)20-2/h7,9,12H,3-6,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-ethyl-5-[(2-methoxycyclopentyl)methylcarbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[(2-methoxycyclopentyl)methylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 295.33 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(2-methoxycyclopentyl)methylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120822565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).