N-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide

C23H29N3O2 — CID 112988829

IUPACN-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2N2CCOCC2)cc1)C1CCCCC1
InChIInChI=1S/C23H29N3O2/c27-23(18-6-2-1-3-7-18)25-20-12-10-19(11-13-20)24-21-8-4-5-9-22(21)26-14-16-28-17-15-26/h4-5,8-13,18,24H,1-3,6-7,14-17H2,(H,25,27)
InChIKeyOGIVGYVWTQTGKX-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.79
Rot. Bonds5

About N-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide

N-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide (PubChem CID 112988829) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide
PubChem CID112988829
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2N2CCOCC2)cc1)C1CCCCC1
InChIInChI=1S/C23H29N3O2/c27-23(18-6-2-1-3-7-18)25-20-12-10-19(11-13-20)24-21-8-4-5-9-22(21)26-14-16-28-17-15-26/h4-5,8-13,18,24H,1-3,6-7,14-17H2,(H,25,27)
InChIKeyOGIVGYVWTQTGKX-UHFFFAOYSA-N
XLogP4.79
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-morpholin-4-ylanilino)phenyl]oxane-4-carboxamide
CID 112988851
N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 43708109
1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185559
4-N-(2-morpholin-4-ylphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
CID 109144996
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 648152
2-(2-morpholin-4-ylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109010529
N-(2-morpholin-4-ylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344153
methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112988416
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]cyclopentanecarboxamide
CID 4837031
1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea
CID 113049830
N-cyclohexyl-2-morpholin-4-ylaniline
CID 43717230
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide (CID 112988829) is N-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide is O=C(Nc1ccc(Nc2ccccc2N2CCOCC2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide?
The InChIKey is OGIVGYVWTQTGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-23(18-6-2-1-3-7-18)25-20-12-10-19(11-13-20)24-21-8-4-5-9-22(21)26-14-16-28-17-15-26/h4-5,8-13,18,24H,1-3,6-7,14-17H2,(H,25,27).
What are the key properties of N-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide?
N-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 112988829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).