2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C23H36N4O3 — CID 8785968

IUPAC2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)NCC2(N3CCOCC3)CCCCC2)cc1
InChIInChI=1S/C23H36N4O3/c1-19-6-8-20(9-7-19)25-22(29)17-26(2)16-21(28)24-18-23(10-4-3-5-11-23)27-12-14-30-15-13-27/h6-9H,3-5,10-18H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyVEURGXDQPQJIPG-UHFFFAOYSA-N
MW416.57 g/mol
LogP2.02
Rot. Bonds8

About 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 8785968) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
PubChem CID8785968
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Name2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)NCC2(N3CCOCC3)CCCCC2)cc1
InChIInChI=1S/C23H36N4O3/c1-19-6-8-20(9-7-19)25-22(29)17-26(2)16-21(28)24-18-23(10-4-3-5-11-23)27-12-14-30-15-13-27/h6-9H,3-5,10-18H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyVEURGXDQPQJIPG-UHFFFAOYSA-N
XLogP2.02
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide with MolForge

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Related Compounds

2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 55409899
2-[(4-ethylphenyl)methyl-methylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 18087679
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
N-(4-fluorophenyl)-2-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]acetamide
CID 111003535
1-[(4-methyl-1-morpholin-4-ylcyclohexyl)methyl]-3-(4-methylphenyl)urea
CID 16842161
2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 8641191
2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 115669668
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 31328500
2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 17427029
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588778
1-(4-ethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
CID 8683530

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 8785968) is 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is Cc1ccc(NC(=O)CN(C)CC(=O)NCC2(N3CCOCC3)CCCCC2)cc1.
What is the InChIKey of 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is VEURGXDQPQJIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-19-6-8-20(9-7-19)25-22(29)17-26(2)16-21(28)24-18-23(10-4-3-5-11-23)27-12-14-30-15-13-27/h6-9H,3-5,10-18H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 416.57 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 8785968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).