2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid

C20H21NO4 — CID 120550972

IUPAC2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid
SMILESCC1CCC(NC(=O)c2cccc(OCC(=O)O)c2)c2ccccc21
InChIInChI=1S/C20H21NO4/c1-13-9-10-18(17-8-3-2-7-16(13)17)21-20(24)14-5-4-6-15(11-14)25-12-19(22)23/h2-8,11,13,18H,9-10,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyYGYDCXUQGGGFBX-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.52
Rot. Bonds5

About 2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid

2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid (PubChem CID 120550972) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid
PubChem CID120550972
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid
SMILESCC1CCC(NC(=O)c2cccc(OCC(=O)O)c2)c2ccccc21
InChIInChI=1S/C20H21NO4/c1-13-9-10-18(17-8-3-2-7-16(13)17)21-20(24)14-5-4-6-15(11-14)25-12-19(22)23/h2-8,11,13,18H,9-10,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyYGYDCXUQGGGFBX-UHFFFAOYSA-N
XLogP3.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid with MolForge

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Related Compounds

2-[3-[(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)carbamoyl]phenoxy]acetic acid
CID 120552679
2-[3-[(3-methoxy-2,2,4-trimethylcyclobutyl)carbamoyl]phenoxy]acetic acid
CID 120552693
2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid
CID 119185869
2-[3-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)carbamoyl]phenoxy]acetic acid
CID 120552545
3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4842813
2-[3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenoxy]acetic acid
CID 120551292
2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
CID 167800809
2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid
CID 136552214
N-benzyl-3-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzamide
CID 9253250
N-methyl-3-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylamino)ethoxy]benzamide
CID 154841683
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
2-[3-[(2-methyloxan-4-yl)methylcarbamoyl]phenoxy]acetic acid
CID 120552523

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid (CID 120550972) is 2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid is CC1CCC(NC(=O)c2cccc(OCC(=O)O)c2)c2ccccc21.
What is the InChIKey of 2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid?
The InChIKey is YGYDCXUQGGGFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13-9-10-18(17-8-3-2-7-16(13)17)21-20(24)14-5-4-6-15(11-14)25-12-19(22)23/h2-8,11,13,18H,9-10,12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid?
2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid has a molecular weight of 339.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 120550972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).