N-(4-morpholin-4-ylphenyl)cyclopropanecarboxamide

C14H18N2O2 — CID 804645

IUPACN-(4-morpholin-4-ylphenyl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1CC1
InChIInChI=1S/C14H18N2O2/c17-14(11-1-2-11)15-12-3-5-13(6-4-12)16-7-9-18-10-8-16/h3-6,11H,1-2,7-10H2,(H,15,17)
InChIKeySETKJHJVXCHLJU-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.87
Rot. Bonds3

About N-(4-morpholin-4-ylphenyl)cyclopropanecarboxamide

N-(4-morpholin-4-ylphenyl)cyclopropanecarboxamide (PubChem CID 804645) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)cyclopropanecarboxamide
PubChem CID804645
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(4-morpholin-4-ylphenyl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1CC1
InChIInChI=1S/C14H18N2O2/c17-14(11-1-2-11)15-12-3-5-13(6-4-12)16-7-9-18-10-8-16/h3-6,11H,1-2,7-10H2,(H,15,17)
InChIKeySETKJHJVXCHLJU-UHFFFAOYSA-N
XLogP1.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)cyclopropanecarboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)cyclopropanecarboxamide (CID 804645) is N-(4-morpholin-4-ylphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)cyclopropanecarboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)C1CC1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)cyclopropanecarboxamide?
The InChIKey is SETKJHJVXCHLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(11-1-2-11)15-12-3-5-13(6-4-12)16-7-9-18-10-8-16/h3-6,11H,1-2,7-10H2,(H,15,17).
What are the key properties of N-(4-morpholin-4-ylphenyl)cyclopropanecarboxamide?
N-(4-morpholin-4-ylphenyl)cyclopropanecarboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 804645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).