2-[7-(2,2-dimethylpropanoylamino)-1,4,6-trimethyl-2,3-dihydroindol-5-yl]acetic acid

C18H26N2O3 — CID 21017984

IUPAC2-[7-(2,2-dimethylpropanoylamino)-1,4,6-trimethyl-2,3-dihydroindol-5-yl]acetic acid
SMILESCc1c(CC(=O)O)c(C)c(NC(=O)C(C)(C)C)c2c1CCN2C
InChIInChI=1S/C18H26N2O3/c1-10-12-7-8-20(6)16(12)15(19-17(23)18(3,4)5)11(2)13(10)9-14(21)22/h7-9H2,1-6H3,(H,19,23)(H,21,22)
InChIKeyNZAAEXVMTTWAHM-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.91
Rot. Bonds3

About 2-[7-(2,2-dimethylpropanoylamino)-1,4,6-trimethyl-2,3-dihydroindol-5-yl]acetic acid

2-[7-(2,2-dimethylpropanoylamino)-1,4,6-trimethyl-2,3-dihydroindol-5-yl]acetic acid (PubChem CID 21017984) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[7-(2,2-dimethylpropanoylamino)-1,4,6-trimethyl-2,3-dihydroindol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[7-(2,2-dimethylpropanoylamino)-1,4,6-trimethyl-2,3-dihydroindol-5-yl]acetic acid
PubChem CID21017984
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[7-(2,2-dimethylpropanoylamino)-1,4,6-trimethyl-2,3-dihydroindol-5-yl]acetic acid
SMILESCc1c(CC(=O)O)c(C)c(NC(=O)C(C)(C)C)c2c1CCN2C
InChIInChI=1S/C18H26N2O3/c1-10-12-7-8-20(6)16(12)15(19-17(23)18(3,4)5)11(2)13(10)9-14(21)22/h7-9H2,1-6H3,(H,19,23)(H,21,22)
InChIKeyNZAAEXVMTTWAHM-UHFFFAOYSA-N
XLogP2.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(2,2-dimethylpropanoylamino)-1,4,6-trimethyl-2,3-dihydroindol-5-yl]acetic acid?
The IUPAC name of 2-[7-(2,2-dimethylpropanoylamino)-1,4,6-trimethyl-2,3-dihydroindol-5-yl]acetic acid (CID 21017984) is 2-[7-(2,2-dimethylpropanoylamino)-1,4,6-trimethyl-2,3-dihydroindol-5-yl]acetic acid.
What is the SMILES notation for 2-[7-(2,2-dimethylpropanoylamino)-1,4,6-trimethyl-2,3-dihydroindol-5-yl]acetic acid?
The canonical SMILES for 2-[7-(2,2-dimethylpropanoylamino)-1,4,6-trimethyl-2,3-dihydroindol-5-yl]acetic acid is Cc1c(CC(=O)O)c(C)c(NC(=O)C(C)(C)C)c2c1CCN2C.
What is the InChIKey of 2-[7-(2,2-dimethylpropanoylamino)-1,4,6-trimethyl-2,3-dihydroindol-5-yl]acetic acid?
The InChIKey is NZAAEXVMTTWAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-10-12-7-8-20(6)16(12)15(19-17(23)18(3,4)5)11(2)13(10)9-14(21)22/h7-9H2,1-6H3,(H,19,23)(H,21,22).
What are the key properties of 2-[7-(2,2-dimethylpropanoylamino)-1,4,6-trimethyl-2,3-dihydroindol-5-yl]acetic acid?
2-[7-(2,2-dimethylpropanoylamino)-1,4,6-trimethyl-2,3-dihydroindol-5-yl]acetic acid has a molecular weight of 318.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2,2-dimethylpropanoylamino)-1,4,6-trimethyl-2,3-dihydroindol-5-yl]acetic acid is sourced from PubChem (CID 21017984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).