N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide

C16H22N2O3 — CID 110405121

IUPACN-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)C1CCCO1
InChIInChI=1S/C16H22N2O3/c19-16(15-2-1-9-21-15)17-12-13-3-5-14(6-4-13)18-7-10-20-11-8-18/h3-6,15H,1-2,7-12H2,(H,17,19)
InChIKeyWLIWIZNOBGJHON-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.32
Rot. Bonds4

About N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide

N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide (PubChem CID 110405121) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
PubChem CID110405121
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)C1CCCO1
InChIInChI=1S/C16H22N2O3/c19-16(15-2-1-9-21-15)17-12-13-3-5-14(6-4-13)18-7-10-20-11-8-18/h3-6,15H,1-2,7-12H2,(H,17,19)
InChIKeyWLIWIZNOBGJHON-UHFFFAOYSA-N
XLogP1.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]oxolane-2-carboxamide
CID 84580144
(2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 94616637
N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide
CID 110405120
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 51090955
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 42891527
N-[[4-(methylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide
CID 47160865
(2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide
CID 125158287
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide
CID 110784547
(2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide
CID 170159902

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide (CID 110405121) is N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide is O=C(NCc1ccc(N2CCOCC2)cc1)C1CCCO1.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide?
The InChIKey is WLIWIZNOBGJHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-16(15-2-1-9-21-15)17-12-13-3-5-14(6-4-13)18-7-10-20-11-8-18/h3-6,15H,1-2,7-12H2,(H,17,19).
What are the key properties of N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide?
N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.32, 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-ylphenyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 110405121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).