4-methoxy-N-[3-methyl-1-[2-(2-methylcyclohexyl)oxyethylamino]-1-oxobutan-2-yl]benzamide

C22H34N2O4 — CID 55713355

IUPAC4-methoxy-N-[3-methyl-1-[2-(2-methylcyclohexyl)oxyethylamino]-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NCCOC2CCCCC2C)C(C)C)cc1
InChIInChI=1S/C22H34N2O4/c1-15(2)20(24-21(25)17-9-11-18(27-4)12-10-17)22(26)23-13-14-28-19-8-6-5-7-16(19)3/h9-12,15-16,19-20H,5-8,13-14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyXJCZAIZPSGAITM-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.16
Rot. Bonds9

About 4-methoxy-N-[3-methyl-1-[2-(2-methylcyclohexyl)oxyethylamino]-1-oxobutan-2-yl]benzamide

4-methoxy-N-[3-methyl-1-[2-(2-methylcyclohexyl)oxyethylamino]-1-oxobutan-2-yl]benzamide (PubChem CID 55713355) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is 4-methoxy-N-[3-methyl-1-[2-(2-methylcyclohexyl)oxyethylamino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-methyl-1-[2-(2-methylcyclohexyl)oxyethylamino]-1-oxobutan-2-yl]benzamide
PubChem CID55713355
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name4-methoxy-N-[3-methyl-1-[2-(2-methylcyclohexyl)oxyethylamino]-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NCCOC2CCCCC2C)C(C)C)cc1
InChIInChI=1S/C22H34N2O4/c1-15(2)20(24-21(25)17-9-11-18(27-4)12-10-17)22(26)23-13-14-28-19-8-6-5-7-16(19)3/h9-12,15-16,19-20H,5-8,13-14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyXJCZAIZPSGAITM-UHFFFAOYSA-N
XLogP3.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.16
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-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 51221501
4-methoxy-N-[(2S)-3-methyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1-oxobutan-2-yl]benzamide
CID 9472900
4-methoxy-N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]benzamide;hydrochloride
CID 119511819
N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 3944138
4-methoxy-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157879
N-[1-[2-(4-chlorophenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 134014648
4-methoxy-N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51159134
4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide
CID 119461802
N-[1-[(2-tert-butyloxan-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 86971626
2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide
CID 51948594
4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157888
N-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55660238

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-methyl-1-[2-(2-methylcyclohexyl)oxyethylamino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[3-methyl-1-[2-(2-methylcyclohexyl)oxyethylamino]-1-oxobutan-2-yl]benzamide (CID 55713355) is 4-methoxy-N-[3-methyl-1-[2-(2-methylcyclohexyl)oxyethylamino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-methyl-1-[2-(2-methylcyclohexyl)oxyethylamino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-methyl-1-[2-(2-methylcyclohexyl)oxyethylamino]-1-oxobutan-2-yl]benzamide is COc1ccc(C(=O)NC(C(=O)NCCOC2CCCCC2C)C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[3-methyl-1-[2-(2-methylcyclohexyl)oxyethylamino]-1-oxobutan-2-yl]benzamide?
The InChIKey is XJCZAIZPSGAITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-15(2)20(24-21(25)17-9-11-18(27-4)12-10-17)22(26)23-13-14-28-19-8-6-5-7-16(19)3/h9-12,15-16,19-20H,5-8,13-14H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 4-methoxy-N-[3-methyl-1-[2-(2-methylcyclohexyl)oxyethylamino]-1-oxobutan-2-yl]benzamide?
4-methoxy-N-[3-methyl-1-[2-(2-methylcyclohexyl)oxyethylamino]-1-oxobutan-2-yl]benzamide has a molecular weight of 390.52 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-methyl-1-[2-(2-methylcyclohexyl)oxyethylamino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55713355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).