2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid

C19H21NO4 — CID 120822635

IUPAC2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2c3ccccc3CCC2C)cc1C(=O)O
InChIInChI=1S/C19H21NO4/c1-3-15-14(19(22)23)10-16(24-15)18(21)20-17-11(2)8-9-12-6-4-5-7-13(12)17/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyCEMAEQKUYWOANQ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.59
Rot. Bonds4

About 2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid

2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid (PubChem CID 120822635) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid
PubChem CID120822635
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2c3ccccc3CCC2C)cc1C(=O)O
InChIInChI=1S/C19H21NO4/c1-3-15-14(19(22)23)10-16(24-15)18(21)20-17-11(2)8-9-12-6-4-5-7-13(12)17/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyCEMAEQKUYWOANQ-UHFFFAOYSA-N
XLogP3.59
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid with MolForge

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Related Compounds

2-ethyl-5-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]furan-3-carboxylic acid
CID 120822622
2-[3-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzoic acid
CID 120550949
1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122008246
3-chloro-2-hydroxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11232317
2-ethyl-5-[(2-methyloxan-4-yl)carbamoyl]furan-3-carboxylic acid
CID 120822597
2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977349
N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 162747128
N-[(1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 102358584
(2R)-2-amino-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120873780
N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 75435845
3-methyl-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-1H-imidazole-4-carboxamide
CID 126839968
3-acetamido-N-[(5S,6S)-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide
CID 99784164

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid (CID 120822635) is 2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NC2c3ccccc3CCC2C)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is CEMAEQKUYWOANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-15-14(19(22)23)10-16(24-15)18(21)20-17-11(2)8-9-12-6-4-5-7-13(12)17/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120822635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).