2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-(4-morpholin-4-ylphenyl)acetamide

C22H34N2O3 — CID 41013188

IUPAC2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H34N2O3/c1-16(2)20-9-4-17(3)14-21(20)27-15-22(25)23-18-5-7-19(8-6-18)24-10-12-26-13-11-24/h5-8,16-17,20-21H,4,9-15H2,1-3H3,(H,23,25)/t17-,20-,21-/m1/s1
InChIKeyANIQXWJGQDSJKQ-DUXKGJEZSA-N
MW374.53 g/mol
LogP3.94
Rot. Bonds6

About 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-(4-morpholin-4-ylphenyl)acetamide

2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 41013188) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID41013188
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H34N2O3/c1-16(2)20-9-4-17(3)14-21(20)27-15-22(25)23-18-5-7-19(8-6-18)24-10-12-26-13-11-24/h5-8,16-17,20-21H,4,9-15H2,1-3H3,(H,23,25)/t17-,20-,21-/m1/s1
InChIKeyANIQXWJGQDSJKQ-DUXKGJEZSA-N
XLogP3.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-(4-morpholin-4-ylphenyl)acetamide with MolForge

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Related Compounds

N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide
CID 51671329
cis-[2-(4-morpholin-4-ylanilino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 7952589
N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 166180590
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2511135
N-cyclohexyl-2-[2-(4-morpholin-4-ylanilino)-2-oxoethoxy]acetamide
CID 35269451
2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 94825706
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 60668633
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969375
2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592720
1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone
CID 129376940
2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-(4-morpholin-4-ylphenyl)acetamide (CID 41013188) is 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-(4-morpholin-4-ylphenyl)acetamide is CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is ANIQXWJGQDSJKQ-DUXKGJEZSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-16(2)20-9-4-17(3)14-21(20)27-15-22(25)23-18-5-7-19(8-6-18)24-10-12-26-13-11-24/h5-8,16-17,20-21H,4,9-15H2,1-3H3,(H,23,25)/t17-,20-,21-/m1/s1.
What are the key properties of 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 374.53 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 41013188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).