N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide

C17H24N2O3 — CID 102557414

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)C1CCCOC1
InChIInChI=1S/C17H24N2O3/c20-17(15-2-1-9-22-13-15)18-16-5-3-14(4-6-16)12-19-7-10-21-11-8-19/h3-6,15H,1-2,7-13H2,(H,18,20)
InChIKeyWFSSUIYHRDPVHY-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.88
Rot. Bonds4

About N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide

N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide (PubChem CID 102557414) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide
PubChem CID102557414
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)C1CCCOC1
InChIInChI=1S/C17H24N2O3/c20-17(15-2-1-9-22-13-15)18-16-5-3-14(4-6-16)12-19-7-10-21-11-8-19/h3-6,15H,1-2,7-13H2,(H,18,20)
InChIKeyWFSSUIYHRDPVHY-UHFFFAOYSA-N
XLogP1.88
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 110862080
N-[4-(2-aminoethyl)phenyl]oxane-3-carboxamide
CID 63011148
N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide
CID 110862273
1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 100522699
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]oxane-3-carboxamide
CID 76982068
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 26164487
N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108730965
3-amino-N-[4-(morpholin-4-ylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119832040
N-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119867908
(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 81119070
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide (CID 102557414) is N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide is O=C(Nc1ccc(CN2CCOCC2)cc1)C1CCCOC1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide?
The InChIKey is WFSSUIYHRDPVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-17(15-2-1-9-22-13-15)18-16-5-3-14(4-6-16)12-19-7-10-21-11-8-19/h3-6,15H,1-2,7-13H2,(H,18,20).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide?
N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide is sourced from PubChem (CID 102557414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).