4-ethoxy-N-[3-methyl-1-[(3-methyl-2-morpholin-4-ylbutyl)amino]-1-oxobutan-2-yl]benzamide

C23H37N3O4 — CID 42938424

IUPAC4-ethoxy-N-[3-methyl-1-[(3-methyl-2-morpholin-4-ylbutyl)amino]-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)NC(C(=O)NCC(C(C)C)N2CCOCC2)C(C)C)cc1
InChIInChI=1S/C23H37N3O4/c1-6-30-19-9-7-18(8-10-19)22(27)25-21(17(4)5)23(28)24-15-20(16(2)3)26-11-13-29-14-12-26/h7-10,16-17,20-21H,6,11-15H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyVFTKPBCXZZGQOK-UHFFFAOYSA-N
MW419.57 g/mol
LogP2.31
Rot. Bonds10

About 4-ethoxy-N-[3-methyl-1-[(3-methyl-2-morpholin-4-ylbutyl)amino]-1-oxobutan-2-yl]benzamide

4-ethoxy-N-[3-methyl-1-[(3-methyl-2-morpholin-4-ylbutyl)amino]-1-oxobutan-2-yl]benzamide (PubChem CID 42938424) has the molecular formula C23H37N3O4 and a molecular weight of 419.57 g/mol. Its IUPAC name is 4-ethoxy-N-[3-methyl-1-[(3-methyl-2-morpholin-4-ylbutyl)amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-methyl-1-[(3-methyl-2-morpholin-4-ylbutyl)amino]-1-oxobutan-2-yl]benzamide
PubChem CID42938424
Molecular FormulaC23H37N3O4
Molecular Weight419.57 g/mol
Exact Mass419.28
IUPAC Name4-ethoxy-N-[3-methyl-1-[(3-methyl-2-morpholin-4-ylbutyl)amino]-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)NC(C(=O)NCC(C(C)C)N2CCOCC2)C(C)C)cc1
InChIInChI=1S/C23H37N3O4/c1-6-30-19-9-7-18(8-10-19)22(27)25-21(17(4)5)23(28)24-15-20(16(2)3)26-11-13-29-14-12-26/h7-10,16-17,20-21H,6,11-15H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyVFTKPBCXZZGQOK-UHFFFAOYSA-N
XLogP2.31
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-ethoxy-N-[3-methyl-1-[(3-methyl-2-morpholin-4-ylbutyl)amino]-1-oxobutan-2-yl]benzamide with MolForge

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Related Compounds

4-ethoxy-N-[(2R)-3-methyl-1-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]amino]-1-oxobutan-2-yl]benzamide
CID 25469531
3-[[2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]-2-methylpropanoic acid
CID 120525607
4-ethoxy-N-[3-methyl-1-[2-(methylamino)ethylamino]-1-oxobutan-2-yl]benzamide
CID 119503972
2,4-dichloro-N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-morpholin-4-ylbutyl]amino]-1-oxobutan-2-yl]benzamide
CID 25497257
2,4-dichloro-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-2-morpholin-4-ylbutyl]amino]-1-oxobutan-2-yl]benzamide
CID 25497250
4-ethoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 119433829
4-ethoxy-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 95246062
4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide
CID 32627981
N-[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 4799830
N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 2598147
4-ethoxy-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide
CID 119394221
4-ethoxy-N-[(2R)-3-methyl-1-oxo-1-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]butan-2-yl]benzamide
CID 8892113

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-methyl-1-[(3-methyl-2-morpholin-4-ylbutyl)amino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[3-methyl-1-[(3-methyl-2-morpholin-4-ylbutyl)amino]-1-oxobutan-2-yl]benzamide (CID 42938424) is 4-ethoxy-N-[3-methyl-1-[(3-methyl-2-morpholin-4-ylbutyl)amino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[3-methyl-1-[(3-methyl-2-morpholin-4-ylbutyl)amino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[3-methyl-1-[(3-methyl-2-morpholin-4-ylbutyl)amino]-1-oxobutan-2-yl]benzamide is CCOc1ccc(C(=O)NC(C(=O)NCC(C(C)C)N2CCOCC2)C(C)C)cc1.
What is the InChIKey of 4-ethoxy-N-[3-methyl-1-[(3-methyl-2-morpholin-4-ylbutyl)amino]-1-oxobutan-2-yl]benzamide?
The InChIKey is VFTKPBCXZZGQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O4/c1-6-30-19-9-7-18(8-10-19)22(27)25-21(17(4)5)23(28)24-15-20(16(2)3)26-11-13-29-14-12-26/h7-10,16-17,20-21H,6,11-15H2,1-5H3,(H,24,28)(H,25,27).
What are the key properties of 4-ethoxy-N-[3-methyl-1-[(3-methyl-2-morpholin-4-ylbutyl)amino]-1-oxobutan-2-yl]benzamide?
4-ethoxy-N-[3-methyl-1-[(3-methyl-2-morpholin-4-ylbutyl)amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 419.57 g/mol, XLogP of 2.31, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-methyl-1-[(3-methyl-2-morpholin-4-ylbutyl)amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 42938424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).