4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide

C23H35N3O3 — CID 9409582

IUPAC4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCCC1CCCCC1
InChIInChI=1S/C23H35N3O3/c1-25(23(28)9-5-8-19-6-3-2-4-7-19)18-22(27)24-20-10-12-21(13-11-20)26-14-16-29-17-15-26/h10-13,19H,2-9,14-18H2,1H3,(H,24,27)
InChIKeyARZOTNCVPUYRSD-UHFFFAOYSA-N
MW401.55 g/mol
LogP3.67
Rot. Bonds8

About 4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide

4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide (PubChem CID 9409582) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
PubChem CID9409582
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCCC1CCCCC1
InChIInChI=1S/C23H35N3O3/c1-25(23(28)9-5-8-19-6-3-2-4-7-19)18-22(27)24-20-10-12-21(13-11-20)26-14-16-29-17-15-26/h10-13,19H,2-9,14-18H2,1H3,(H,24,27)
InChIKeyARZOTNCVPUYRSD-UHFFFAOYSA-N
XLogP3.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7409256
3-acetamido-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 9409522
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
(2R)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 9409375
2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55411322
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55720056
N-[4-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 55364615
2-[methyl-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8681927
N-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide
CID 42989986
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9303861
3-(1,3-benzodioxol-5-yl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 55455008
1-(cyclopropanecarbonyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55630959

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide?
The IUPAC name of 4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide (CID 9409582) is 4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide.
What is the SMILES notation for 4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide?
The canonical SMILES for 4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCCC1CCCCC1.
What is the InChIKey of 4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide?
The InChIKey is ARZOTNCVPUYRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-25(23(28)9-5-8-19-6-3-2-4-7-19)18-22(27)24-20-10-12-21(13-11-20)26-14-16-29-17-15-26/h10-13,19H,2-9,14-18H2,1H3,(H,24,27).
What are the key properties of 4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide?
4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide has a molecular weight of 401.55 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide is sourced from PubChem (CID 9409582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).