(2S)-2-(2-methoxy-5-methylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one

C20H22N2O2 — CID 29457626

IUPAC(2S)-2-(2-methoxy-5-methylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one
SMILESCOc1ccc(C)cc1N[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C20H22N2O2/c1-12-9-10-18(24-4)17(11-12)22-14(3)20(23)19-13(2)21-16-8-6-5-7-15(16)19/h5-11,14,21-22H,1-4H3/t14-/m0/s1
InChIKeyOJFNJOSRUZOYSI-AWEZNQCLSA-N
MW322.41 g/mol
LogP4.48
Rot. Bonds5

About (2S)-2-(2-methoxy-5-methylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one

(2S)-2-(2-methoxy-5-methylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one (PubChem CID 29457626) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S)-2-(2-methoxy-5-methylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-(2-methoxy-5-methylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one
PubChem CID29457626
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(2S)-2-(2-methoxy-5-methylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one
SMILESCOc1ccc(C)cc1N[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C20H22N2O2/c1-12-9-10-18(24-4)17(11-12)22-14(3)20(23)19-13(2)21-16-8-6-5-7-15(16)19/h5-11,14,21-22H,1-4H3/t14-/m0/s1
InChIKeyOJFNJOSRUZOYSI-AWEZNQCLSA-N
XLogP4.48
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110762508
2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 42894695
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2,3,4-trimethoxybenzoate
CID 7758516
(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 15104433
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2,3-dimethoxybenzoate
CID 51483799
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 7599860
(2S)-2-chloro-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 2405282
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
N-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]propanamide
CID 60517352
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 16516112
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 7416232
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxy-5-methylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one?
The IUPAC name of (2S)-2-(2-methoxy-5-methylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one (CID 29457626) is (2S)-2-(2-methoxy-5-methylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for (2S)-2-(2-methoxy-5-methylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one?
The canonical SMILES for (2S)-2-(2-methoxy-5-methylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one is COc1ccc(C)cc1N[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of (2S)-2-(2-methoxy-5-methylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one?
The InChIKey is OJFNJOSRUZOYSI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-12-9-10-18(24-4)17(11-12)22-14(3)20(23)19-13(2)21-16-8-6-5-7-15(16)19/h5-11,14,21-22H,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-2-(2-methoxy-5-methylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one?
(2S)-2-(2-methoxy-5-methylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one has a molecular weight of 322.41 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxy-5-methylanilino)-1-(2-methyl-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 29457626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).