2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid

C21H23NO4 — CID 119185869

IUPAC2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)NC2CCCC2Cc2ccccc2)c1
InChIInChI=1S/C21H23NO4/c23-20(24)14-26-18-10-4-9-17(13-18)21(25)22-19-11-5-8-16(19)12-15-6-2-1-3-7-15/h1-4,6-7,9-10,13,16,19H,5,8,11-12,14H2,(H,22,25)(H,23,24)
InChIKeyAYNJXCFTSSHONR-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.29
Rot. Bonds7

About 2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid

2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid (PubChem CID 119185869) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid
PubChem CID119185869
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)NC2CCCC2Cc2ccccc2)c1
InChIInChI=1S/C21H23NO4/c23-20(24)14-26-18-10-4-9-17(13-18)21(25)22-19-11-5-8-16(19)12-15-6-2-1-3-7-15/h1-4,6-7,9-10,13,16,19H,5,8,11-12,14H2,(H,22,25)(H,23,24)
InChIKeyAYNJXCFTSSHONR-UHFFFAOYSA-N
XLogP3.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(2-benzylcyclopentyl)benzamide;hydrochloride
CID 119329447
4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride
CID 119317648
5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
CID 119137412
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide
CID 119609171
2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid
CID 120550972
N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride
CID 119611218
2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid
CID 136552214
2-[3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenoxy]acetic acid
CID 120551292
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
4-[(2-benzylcyclopentyl)carbamoylamino]butanoic acid
CID 122002966
2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid
CID 120699051

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid (CID 119185869) is 2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid is O=C(O)COc1cccc(C(=O)NC2CCCC2Cc2ccccc2)c1.
What is the InChIKey of 2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid?
The InChIKey is AYNJXCFTSSHONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c23-20(24)14-26-18-10-4-9-17(13-18)21(25)22-19-11-5-8-16(19)12-15-6-2-1-3-7-15/h1-4,6-7,9-10,13,16,19H,5,8,11-12,14H2,(H,22,25)(H,23,24).
What are the key properties of 2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid?
2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid has a molecular weight of 353.42 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119185869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).