2-(dimethylamino)-N-[1-(4-ethylphenyl)-3-oxopropan-2-yl]-3-(6-fluoro-1H-indol-3-yl)-N-methylpropanamide

C25H30FN3O2 — CID 153365976

IUPAC2-(dimethylamino)-N-[1-(4-ethylphenyl)-3-oxopropan-2-yl]-3-(6-fluoro-1H-indol-3-yl)-N-methylpropanamide
SMILESCCc1ccc(CC(C=O)N(C)C(=O)C(Cc2c[nH]c3cc(F)ccc23)N(C)C)cc1
InChIInChI=1S/C25H30FN3O2/c1-5-17-6-8-18(9-7-17)12-21(16-30)29(4)25(31)24(28(2)3)13-19-15-27-23-14-20(26)10-11-22(19)23/h6-11,14-16,21,24,27H,5,12-13H2,1-4H3
InChIKeyZQCGQOHQSUXLHO-UHFFFAOYSA-N
MW423.53 g/mol
LogP3.61
Rot. Bonds9

About 2-(dimethylamino)-N-[1-(4-ethylphenyl)-3-oxopropan-2-yl]-3-(6-fluoro-1H-indol-3-yl)-N-methylpropanamide

2-(dimethylamino)-N-[1-(4-ethylphenyl)-3-oxopropan-2-yl]-3-(6-fluoro-1H-indol-3-yl)-N-methylpropanamide (PubChem CID 153365976) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[1-(4-ethylphenyl)-3-oxopropan-2-yl]-3-(6-fluoro-1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[1-(4-ethylphenyl)-3-oxopropan-2-yl]-3-(6-fluoro-1H-indol-3-yl)-N-methylpropanamide
PubChem CID153365976
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC Name2-(dimethylamino)-N-[1-(4-ethylphenyl)-3-oxopropan-2-yl]-3-(6-fluoro-1H-indol-3-yl)-N-methylpropanamide
SMILESCCc1ccc(CC(C=O)N(C)C(=O)C(Cc2c[nH]c3cc(F)ccc23)N(C)C)cc1
InChIInChI=1S/C25H30FN3O2/c1-5-17-6-8-18(9-7-17)12-21(16-30)29(4)25(31)24(28(2)3)13-19-15-27-23-14-20(26)10-11-22(19)23/h6-11,14-16,21,24,27H,5,12-13H2,1-4H3
InChIKeyZQCGQOHQSUXLHO-UHFFFAOYSA-N
XLogP3.61
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-3-(6-fluoro-1H-indol-3-yl)propanal;2-(dimethylamino)-3-(4-fluorophenyl)propanal
CID 153365983
2-(dimethylamino)-3-(6-fluoro-1H-indol-3-yl)propanal;2-(dimethylamino)-3-(3-fluorophenyl)propanal
CID 153365938
N-[1-(4-chloro-3-hydroxyphenyl)-3-oxopropan-2-yl]-2-(dimethylamino)-3-(5-fluoro-4-nitro-1H-indol-3-yl)-N-methylpropanamide
CID 153365923
2-(dimethylamino)-3-(6-fluoro-4-nitro-1H-indol-3-yl)-N-[1-(2-fluorophenyl)-3-oxopropan-2-yl]-N-methylpropanamide
CID 153365919
N-[1-(3-chlorophenyl)-3-oxopropan-2-yl]-2-(dimethylamino)-3-(5-fluoro-4-nitro-1H-indol-3-yl)-N-methylpropanamide
CID 153365992
(2S)-3-(6-fluoro-1H-indol-3-yl)-2-methoxypropanoic acid
CID 167015185
1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride
CID 86018044
2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide
CID 113209412
4-amino-2-[(6-fluoro-1H-indol-3-yl)methyl]butanoic acid
CID 139519329
3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119228796
4-(6-fluoro-1H-indol-3-yl)butan-2-one
CID 28806457
(2S)-2-(tert-butylamino)-1-(6-fluoro-1H-indol-3-yl)-4,4-dimethylpentan-3-one
CID 171439337

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[1-(4-ethylphenyl)-3-oxopropan-2-yl]-3-(6-fluoro-1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of 2-(dimethylamino)-N-[1-(4-ethylphenyl)-3-oxopropan-2-yl]-3-(6-fluoro-1H-indol-3-yl)-N-methylpropanamide (CID 153365976) is 2-(dimethylamino)-N-[1-(4-ethylphenyl)-3-oxopropan-2-yl]-3-(6-fluoro-1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for 2-(dimethylamino)-N-[1-(4-ethylphenyl)-3-oxopropan-2-yl]-3-(6-fluoro-1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for 2-(dimethylamino)-N-[1-(4-ethylphenyl)-3-oxopropan-2-yl]-3-(6-fluoro-1H-indol-3-yl)-N-methylpropanamide is CCc1ccc(CC(C=O)N(C)C(=O)C(Cc2c[nH]c3cc(F)ccc23)N(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)-N-[1-(4-ethylphenyl)-3-oxopropan-2-yl]-3-(6-fluoro-1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is ZQCGQOHQSUXLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-5-17-6-8-18(9-7-17)12-21(16-30)29(4)25(31)24(28(2)3)13-19-15-27-23-14-20(26)10-11-22(19)23/h6-11,14-16,21,24,27H,5,12-13H2,1-4H3.
What are the key properties of 2-(dimethylamino)-N-[1-(4-ethylphenyl)-3-oxopropan-2-yl]-3-(6-fluoro-1H-indol-3-yl)-N-methylpropanamide?
2-(dimethylamino)-N-[1-(4-ethylphenyl)-3-oxopropan-2-yl]-3-(6-fluoro-1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 423.53 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[1-(4-ethylphenyl)-3-oxopropan-2-yl]-3-(6-fluoro-1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 153365976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).