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

C21H23NO5 — CID 120550756

IUPAC2-[2-ethoxy-4-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NC2(C)Cc3ccccc3C2)ccc1OCC(=O)O
InChIInChI=1S/C21H23NO5/c1-3-26-18-10-14(8-9-17(18)27-13-19(23)24)20(25)22-21(2)11-15-6-4-5-7-16(15)12-21/h4-10H,3,11-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyKSYZQKCSHSTWBH-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.84
Rot. Bonds7

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

2-[2-ethoxy-4-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]phenoxy]acetic acid (PubChem CID 120550756) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]phenoxy]acetic acid
PubChem CID120550756
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name2-[2-ethoxy-4-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NC2(C)Cc3ccccc3C2)ccc1OCC(=O)O
InChIInChI=1S/C21H23NO5/c1-3-26-18-10-14(8-9-17(18)27-13-19(23)24)20(25)22-21(2)11-15-6-4-5-7-16(15)12-21/h4-10H,3,11-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyKSYZQKCSHSTWBH-UHFFFAOYSA-N
XLogP2.84
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid
CID 119179703
2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211
2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid
CID 119184092
2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119181430
2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid
CID 119180523
N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 51273775
2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid
CID 122135254
2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid
CID 120700652
2-[2-ethoxy-4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenoxy]acetic acid
CID 119182333
2-[4-(1,3-benzodioxol-4-ylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119181952

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]phenoxy]acetic acid (CID 120550756) is 2-[2-ethoxy-4-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)NC2(C)Cc3ccccc3C2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]phenoxy]acetic acid?
The InChIKey is KSYZQKCSHSTWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-3-26-18-10-14(8-9-17(18)27-13-19(23)24)20(25)22-21(2)11-15-6-4-5-7-16(15)12-21/h4-10H,3,11-13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-[2-ethoxy-4-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]phenoxy]acetic acid has a molecular weight of 369.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 120550756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).