2-[2-[2-(cyclopropylmethoxy)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

C22H23NO4 — CID 119137884

IUPAC2-[2-[2-(cyclopropylmethoxy)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(CC1(C(=O)O)Cc2ccccc2C1)Nc1ccccc1OCC1CC1
InChIInChI=1S/C22H23NO4/c24-20(23-18-7-3-4-8-19(18)27-14-15-9-10-15)13-22(21(25)26)11-16-5-1-2-6-17(16)12-22/h1-8,15H,9-14H2,(H,23,24)(H,25,26)
InChIKeyZHUMZDFNGRHZBT-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.67
Rot. Bonds7

About 2-[2-[2-(cyclopropylmethoxy)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

2-[2-[2-(cyclopropylmethoxy)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 119137884) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[2-[2-(cyclopropylmethoxy)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-(cyclopropylmethoxy)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
PubChem CID119137884
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name2-[2-[2-(cyclopropylmethoxy)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(CC1(C(=O)O)Cc2ccccc2C1)Nc1ccccc1OCC1CC1
InChIInChI=1S/C22H23NO4/c24-20(23-18-7-3-4-8-19(18)27-14-15-9-10-15)13-22(21(25)26)11-16-5-1-2-6-17(16)12-22/h1-8,15H,9-14H2,(H,23,24)(H,25,26)
InChIKeyZHUMZDFNGRHZBT-UHFFFAOYSA-N
XLogP3.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopropylmethoxy)phenyl]-2-(dimethylamino)acetamide
CID 91661447
N-[2-(cyclopropylmethoxy)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119799501
N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119799491
2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108687
2-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108646
2-[2-[5-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108665
1-[[2-(cyclopropylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085447
2-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108591
2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119109727
N-[2-(cyclopropylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119332686
2-[2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119161036
N-(2-ethoxyphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432228

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(cyclopropylmethoxy)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[2-[2-(cyclopropylmethoxy)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (CID 119137884) is 2-[2-[2-(cyclopropylmethoxy)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[2-[2-(cyclopropylmethoxy)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[2-[2-(cyclopropylmethoxy)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is O=C(CC1(C(=O)O)Cc2ccccc2C1)Nc1ccccc1OCC1CC1.
What is the InChIKey of 2-[2-[2-(cyclopropylmethoxy)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is ZHUMZDFNGRHZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c24-20(23-18-7-3-4-8-19(18)27-14-15-9-10-15)13-22(21(25)26)11-16-5-1-2-6-17(16)12-22/h1-8,15H,9-14H2,(H,23,24)(H,25,26).
What are the key properties of 2-[2-[2-(cyclopropylmethoxy)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
2-[2-[2-(cyclopropylmethoxy)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(cyclopropylmethoxy)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 119137884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).