4-chloro-N-methyl-N-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexyl]benzamide

C27H35ClN2O3 — CID 75454377

IUPAC4-chloro-N-methyl-N-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexyl]benzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)C1CCC(c2ccc(OCCCN3CCOCC3)cc2)CC1
InChIInChI=1S/C27H35ClN2O3/c1-29(27(31)23-3-9-24(28)10-4-23)25-11-5-21(6-12-25)22-7-13-26(14-8-22)33-18-2-15-30-16-19-32-20-17-30/h3-4,7-10,13-14,21,25H,2,5-6,11-12,15-20H2,1H3
InChIKeyACKGITYGRPTXTR-UHFFFAOYSA-N
MW471.04 g/mol
LogP5.24
Rot. Bonds8

About 4-chloro-N-methyl-N-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexyl]benzamide

4-chloro-N-methyl-N-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexyl]benzamide (PubChem CID 75454377) has the molecular formula C27H35ClN2O3 and a molecular weight of 471.04 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexyl]benzamide
PubChem CID75454377
Molecular FormulaC27H35ClN2O3
Molecular Weight471.04 g/mol
Exact Mass470.23
IUPAC Name4-chloro-N-methyl-N-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexyl]benzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)C1CCC(c2ccc(OCCCN3CCOCC3)cc2)CC1
InChIInChI=1S/C27H35ClN2O3/c1-29(27(31)23-3-9-24(28)10-4-23)25-11-5-21(6-12-25)22-7-13-26(14-8-22)33-18-2-15-30-16-19-32-20-17-30/h3-4,7-10,13-14,21,25H,2,5-6,11-12,15-20H2,1H3
InChIKeyACKGITYGRPTXTR-UHFFFAOYSA-N
XLogP5.24
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.04
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexyl]benzamide?
The IUPAC name of 4-chloro-N-methyl-N-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexyl]benzamide (CID 75454377) is 4-chloro-N-methyl-N-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexyl]benzamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexyl]benzamide?
The canonical SMILES for 4-chloro-N-methyl-N-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexyl]benzamide is CN(C(=O)c1ccc(Cl)cc1)C1CCC(c2ccc(OCCCN3CCOCC3)cc2)CC1.
What is the InChIKey of 4-chloro-N-methyl-N-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexyl]benzamide?
The InChIKey is ACKGITYGRPTXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN2O3/c1-29(27(31)23-3-9-24(28)10-4-23)25-11-5-21(6-12-25)22-7-13-26(14-8-22)33-18-2-15-30-16-19-32-20-17-30/h3-4,7-10,13-14,21,25H,2,5-6,11-12,15-20H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexyl]benzamide?
4-chloro-N-methyl-N-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexyl]benzamide has a molecular weight of 471.04 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexyl]benzamide is sourced from PubChem (CID 75454377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).