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

C25H30N4O5 — CID 55720026

IUPAC4-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H30N4O5/c1-28(25(31)4-3-13-34-22-10-5-19(17-26)16-23(22)32-2)18-24(30)27-20-6-8-21(9-7-20)29-11-14-33-15-12-29/h5-10,16H,3-4,11-15,18H2,1-2H3,(H,27,30)
InChIKeyQIRFEXKKOIICNL-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.66
Rot. Bonds10

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

4-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide (PubChem CID 55720026) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
PubChem CID55720026
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name4-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H30N4O5/c1-28(25(31)4-3-13-34-22-10-5-19(17-26)16-23(22)32-2)18-24(30)27-20-6-8-21(9-7-20)29-11-14-33-15-12-29/h5-10,16H,3-4,11-15,18H2,1-2H3,(H,27,30)
InChIKeyQIRFEXKKOIICNL-UHFFFAOYSA-N
XLogP2.66
TPSA104.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide with MolForge

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Related Compounds

2-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55754980
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7551228
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55328554
3-acetamido-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 9409522
4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 9409582
2-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4820741
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4820757
4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
CID 46484895
4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide
CID 46472197
2-[(3-cyanophenyl)sulfonyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7937740
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide
CID 60590949

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide?
The IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide (CID 55720026) is 4-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide?
The canonical SMILES for 4-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide is COc1cc(C#N)ccc1OCCCC(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide?
The InChIKey is QIRFEXKKOIICNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-28(25(31)4-3-13-34-22-10-5-19(17-26)16-23(22)32-2)18-24(30)27-20-6-8-21(9-7-20)29-11-14-33-15-12-29/h5-10,16H,3-4,11-15,18H2,1-2H3,(H,27,30).
What are the key properties of 4-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide?
4-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide has a molecular weight of 466.54 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide is sourced from PubChem (CID 55720026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).