N-[3-(3-morpholin-4-ylpropoxy)phenyl]cyclohexanecarboxamide

C20H30N2O3 — CID 25015042

IUPACN-[3-(3-morpholin-4-ylpropoxy)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(OCCCN2CCOCC2)c1)C1CCCCC1
InChIInChI=1S/C20H30N2O3/c23-20(17-6-2-1-3-7-17)21-18-8-4-9-19(16-18)25-13-5-10-22-11-14-24-15-12-22/h4,8-9,16-17H,1-3,5-7,10-15H2,(H,21,23)
InChIKeyUFXSDNPTJRZFCN-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.31
Rot. Bonds7

About N-[3-(3-morpholin-4-ylpropoxy)phenyl]cyclohexanecarboxamide

N-[3-(3-morpholin-4-ylpropoxy)phenyl]cyclohexanecarboxamide (PubChem CID 25015042) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[3-(3-morpholin-4-ylpropoxy)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(3-morpholin-4-ylpropoxy)phenyl]cyclohexanecarboxamide
PubChem CID25015042
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[3-(3-morpholin-4-ylpropoxy)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(OCCCN2CCOCC2)c1)C1CCCCC1
InChIInChI=1S/C20H30N2O3/c23-20(17-6-2-1-3-7-17)21-18-8-4-9-19(16-18)25-13-5-10-22-11-14-24-15-12-22/h4,8-9,16-17H,1-3,5-7,10-15H2,(H,21,23)
InChIKeyUFXSDNPTJRZFCN-UHFFFAOYSA-N
XLogP3.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
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 N-[3-(3-morpholin-4-ylpropoxy)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(3-morpholin-4-ylpropoxy)phenyl]cyclohexanecarboxamide (CID 25015042) is N-[3-(3-morpholin-4-ylpropoxy)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(3-morpholin-4-ylpropoxy)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(3-morpholin-4-ylpropoxy)phenyl]cyclohexanecarboxamide is O=C(Nc1cccc(OCCCN2CCOCC2)c1)C1CCCCC1.
What is the InChIKey of N-[3-(3-morpholin-4-ylpropoxy)phenyl]cyclohexanecarboxamide?
The InChIKey is UFXSDNPTJRZFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-20(17-6-2-1-3-7-17)21-18-8-4-9-19(16-18)25-13-5-10-22-11-14-24-15-12-22/h4,8-9,16-17H,1-3,5-7,10-15H2,(H,21,23).
What are the key properties of N-[3-(3-morpholin-4-ylpropoxy)phenyl]cyclohexanecarboxamide?
N-[3-(3-morpholin-4-ylpropoxy)phenyl]cyclohexanecarboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-morpholin-4-ylpropoxy)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 25015042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).