2-[1-[4-[(1-ethyl-2,3-dihydroindol-2-yl)methoxy]-2-methylbenzoyl]-2-methyl-2,3-dihydroindol-3-yl]acetic acid

C30H32N2O4 — CID 71160362

IUPAC2-[1-[4-[(1-ethyl-2,3-dihydroindol-2-yl)methoxy]-2-methylbenzoyl]-2-methyl-2,3-dihydroindol-3-yl]acetic acid
SMILESCCN1c2ccccc2CC1COc1ccc(C(=O)N2c3ccccc3C(CC(=O)O)C2C)c(C)c1
InChIInChI=1S/C30H32N2O4/c1-4-31-22(16-21-9-5-7-11-27(21)31)18-36-23-13-14-24(19(2)15-23)30(35)32-20(3)26(17-29(33)34)25-10-6-8-12-28(25)32/h5-15,20,22,26H,4,16-18H2,1-3H3,(H,33,34)
InChIKeyDZBMOYKFNIOJSB-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.43
Rot. Bonds7

About 2-[1-[4-[(1-ethyl-2,3-dihydroindol-2-yl)methoxy]-2-methylbenzoyl]-2-methyl-2,3-dihydroindol-3-yl]acetic acid

2-[1-[4-[(1-ethyl-2,3-dihydroindol-2-yl)methoxy]-2-methylbenzoyl]-2-methyl-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 71160362) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-[1-[4-[(1-ethyl-2,3-dihydroindol-2-yl)methoxy]-2-methylbenzoyl]-2-methyl-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-[(1-ethyl-2,3-dihydroindol-2-yl)methoxy]-2-methylbenzoyl]-2-methyl-2,3-dihydroindol-3-yl]acetic acid
PubChem CID71160362
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Name2-[1-[4-[(1-ethyl-2,3-dihydroindol-2-yl)methoxy]-2-methylbenzoyl]-2-methyl-2,3-dihydroindol-3-yl]acetic acid
SMILESCCN1c2ccccc2CC1COc1ccc(C(=O)N2c3ccccc3C(CC(=O)O)C2C)c(C)c1
InChIInChI=1S/C30H32N2O4/c1-4-31-22(16-21-9-5-7-11-27(21)31)18-36-23-13-14-24(19(2)15-23)30(35)32-20(3)26(17-29(33)34)25-10-6-8-12-28(25)32/h5-15,20,22,26H,4,16-18H2,1-3H3,(H,33,34)
InChIKeyDZBMOYKFNIOJSB-UHFFFAOYSA-N
XLogP5.43
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid
CID 115106317
benzyl 2-[1-[2-chloro-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]-2-methyl-2,3-dihydroindol-3-yl]acetate
CID 71160359
2-[1-[4-[[(2R)-1-ethyl-2,3-dihydroindol-2-yl]methoxy]-3-methylbenzoyl]-5-fluoro-2-methylindol-3-yl]acetic acid
CID 90786662
(2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole
CID 58740920
2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid
CID 91464048
2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid
CID 117201541
2-benzyl-1-ethyl-2,3-dihydroindole
CID 70645248
2-[2-methyl-1-(2-naphthalen-1-ylpropanoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 70861221
5-(4-ethoxy-2-methylphenyl)-5-oxopentanoic acid
CID 82264480
2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid
CID 170196802
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfanyl-2,3-dihydroindol-2-yl]methoxy]acetic acid
CID 143858275
(2R)-1-(2-ethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428728

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(1-ethyl-2,3-dihydroindol-2-yl)methoxy]-2-methylbenzoyl]-2-methyl-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-[4-[(1-ethyl-2,3-dihydroindol-2-yl)methoxy]-2-methylbenzoyl]-2-methyl-2,3-dihydroindol-3-yl]acetic acid (CID 71160362) is 2-[1-[4-[(1-ethyl-2,3-dihydroindol-2-yl)methoxy]-2-methylbenzoyl]-2-methyl-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-[(1-ethyl-2,3-dihydroindol-2-yl)methoxy]-2-methylbenzoyl]-2-methyl-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[4-[(1-ethyl-2,3-dihydroindol-2-yl)methoxy]-2-methylbenzoyl]-2-methyl-2,3-dihydroindol-3-yl]acetic acid is CCN1c2ccccc2CC1COc1ccc(C(=O)N2c3ccccc3C(CC(=O)O)C2C)c(C)c1.
What is the InChIKey of 2-[1-[4-[(1-ethyl-2,3-dihydroindol-2-yl)methoxy]-2-methylbenzoyl]-2-methyl-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is DZBMOYKFNIOJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-4-31-22(16-21-9-5-7-11-27(21)31)18-36-23-13-14-24(19(2)15-23)30(35)32-20(3)26(17-29(33)34)25-10-6-8-12-28(25)32/h5-15,20,22,26H,4,16-18H2,1-3H3,(H,33,34).
What are the key properties of 2-[1-[4-[(1-ethyl-2,3-dihydroindol-2-yl)methoxy]-2-methylbenzoyl]-2-methyl-2,3-dihydroindol-3-yl]acetic acid?
2-[1-[4-[(1-ethyl-2,3-dihydroindol-2-yl)methoxy]-2-methylbenzoyl]-2-methyl-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 484.60 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(1-ethyl-2,3-dihydroindol-2-yl)methoxy]-2-methylbenzoyl]-2-methyl-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 71160362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).