(2R)-2-methoxy-2-methyl-1-(2-propanoyl-5-propan-2-ylanilino)-6-propan-2-ylindol-3-one

C25H32N2O3 — CID 7039729

IUPAC(2R)-2-methoxy-2-methyl-1-(2-propanoyl-5-propan-2-ylanilino)-6-propan-2-ylindol-3-one
SMILESCCC(=O)c1ccc(C(C)C)cc1NN1c2cc(C(C)C)ccc2C(=O)[C@@]1(C)OC
InChIInChI=1S/C25H32N2O3/c1-8-23(28)19-11-9-17(15(2)3)13-21(19)26-27-22-14-18(16(4)5)10-12-20(22)24(29)25(27,6)30-7/h9-16,26H,8H2,1-7H3/t25-/m1/s1
InChIKeyMDDISCDAGZFSKN-RUZDIDTESA-N
MW408.54 g/mol
LogP5.92
Rot. Bonds7

About (2R)-2-methoxy-2-methyl-1-(2-propanoyl-5-propan-2-ylanilino)-6-propan-2-ylindol-3-one

(2R)-2-methoxy-2-methyl-1-(2-propanoyl-5-propan-2-ylanilino)-6-propan-2-ylindol-3-one (PubChem CID 7039729) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is (2R)-2-methoxy-2-methyl-1-(2-propanoyl-5-propan-2-ylanilino)-6-propan-2-ylindol-3-one.

Molecular Properties

Compound Name(2R)-2-methoxy-2-methyl-1-(2-propanoyl-5-propan-2-ylanilino)-6-propan-2-ylindol-3-one
PubChem CID7039729
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name(2R)-2-methoxy-2-methyl-1-(2-propanoyl-5-propan-2-ylanilino)-6-propan-2-ylindol-3-one
SMILESCCC(=O)c1ccc(C(C)C)cc1NN1c2cc(C(C)C)ccc2C(=O)[C@@]1(C)OC
InChIInChI=1S/C25H32N2O3/c1-8-23(28)19-11-9-17(15(2)3)13-21(19)26-27-22-14-18(16(4)5)10-12-20(22)24(29)25(27,6)30-7/h9-16,26H,8H2,1-7H3/t25-/m1/s1
InChIKeyMDDISCDAGZFSKN-RUZDIDTESA-N
XLogP5.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-2-methyl-1-(2-propanoyl-5-propan-2-ylanilino)-6-propan-2-ylindol-3-one?
The IUPAC name of (2R)-2-methoxy-2-methyl-1-(2-propanoyl-5-propan-2-ylanilino)-6-propan-2-ylindol-3-one (CID 7039729) is (2R)-2-methoxy-2-methyl-1-(2-propanoyl-5-propan-2-ylanilino)-6-propan-2-ylindol-3-one.
What is the SMILES notation for (2R)-2-methoxy-2-methyl-1-(2-propanoyl-5-propan-2-ylanilino)-6-propan-2-ylindol-3-one?
The canonical SMILES for (2R)-2-methoxy-2-methyl-1-(2-propanoyl-5-propan-2-ylanilino)-6-propan-2-ylindol-3-one is CCC(=O)c1ccc(C(C)C)cc1NN1c2cc(C(C)C)ccc2C(=O)[C@@]1(C)OC.
What is the InChIKey of (2R)-2-methoxy-2-methyl-1-(2-propanoyl-5-propan-2-ylanilino)-6-propan-2-ylindol-3-one?
The InChIKey is MDDISCDAGZFSKN-RUZDIDTESA-N. The full InChI is InChI=1S/C25H32N2O3/c1-8-23(28)19-11-9-17(15(2)3)13-21(19)26-27-22-14-18(16(4)5)10-12-20(22)24(29)25(27,6)30-7/h9-16,26H,8H2,1-7H3/t25-/m1/s1.
What are the key properties of (2R)-2-methoxy-2-methyl-1-(2-propanoyl-5-propan-2-ylanilino)-6-propan-2-ylindol-3-one?
(2R)-2-methoxy-2-methyl-1-(2-propanoyl-5-propan-2-ylanilino)-6-propan-2-ylindol-3-one has a molecular weight of 408.54 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-2-methyl-1-(2-propanoyl-5-propan-2-ylanilino)-6-propan-2-ylindol-3-one is sourced from PubChem (CID 7039729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).