4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide

C25H31N3O3 — CID 42910684

IUPAC4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)NC(C(=O)NCCCn2ccc3ccccc32)C(C)C)cc1
InChIInChI=1S/C25H31N3O3/c1-4-31-21-12-10-20(11-13-21)24(29)27-23(18(2)3)25(30)26-15-7-16-28-17-14-19-8-5-6-9-22(19)28/h5-6,8-14,17-18,23H,4,7,15-16H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyXJWRGPBMJDQXBX-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.00
Rot. Bonds10

About 4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide

4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 42910684) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID42910684
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)NC(C(=O)NCCCn2ccc3ccccc32)C(C)C)cc1
InChIInChI=1S/C25H31N3O3/c1-4-31-21-12-10-20(11-13-21)24(29)27-23(18(2)3)25(30)26-15-7-16-28-17-14-19-8-5-6-9-22(19)28/h5-6,8-14,17-18,23H,4,7,15-16H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyXJWRGPBMJDQXBX-UHFFFAOYSA-N
XLogP4.00
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 119433829
4-ethoxy-N-[3-methyl-1-[2-(methylamino)ethylamino]-1-oxobutan-2-yl]benzamide
CID 119503972
4-ethoxy-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide
CID 119394221
N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 2598147
N-[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 4799830
N-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide
CID 108726376
N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 3944138
2-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)acetamide
CID 5244033
N-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55660238
4-ethoxy-N-[(2R)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]butan-2-yl]benzamide
CID 8892114
4-ethoxy-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]butan-2-yl]benzamide
CID 8892113
6-ethoxy-N-(3-indol-1-ylpropyl)-1H-indole-2-carboxamide
CID 52670551

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 42910684) is 4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide is CCOc1ccc(C(=O)NC(C(=O)NCCCn2ccc3ccccc32)C(C)C)cc1.
What is the InChIKey of 4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is XJWRGPBMJDQXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-4-31-21-12-10-20(11-13-21)24(29)27-23(18(2)3)25(30)26-15-7-16-28-17-14-19-8-5-6-9-22(19)28/h5-6,8-14,17-18,23H,4,7,15-16H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 421.54 g/mol, XLogP of 4.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 42910684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).