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

C17H22N2O4 — CID 84580144

IUPACN-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]oxolane-2-carboxamide
SMILESO=C(CNC(=O)C1CCCO1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H22N2O4/c20-15(12-18-17(21)16-2-1-9-23-16)13-3-5-14(6-4-13)19-7-10-22-11-8-19/h3-6,16H,1-2,7-12H2,(H,18,21)
InChIKeyYGQUBZSWDLCSBT-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.00
Rot. Bonds5

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

N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]oxolane-2-carboxamide (PubChem CID 84580144) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]oxolane-2-carboxamide
PubChem CID84580144
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]oxolane-2-carboxamide
SMILESO=C(CNC(=O)C1CCCO1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H22N2O4/c20-15(12-18-17(21)16-2-1-9-23-16)13-3-5-14(6-4-13)19-7-10-22-11-8-19/h3-6,16H,1-2,7-12H2,(H,18,21)
InChIKeyYGQUBZSWDLCSBT-UHFFFAOYSA-N
XLogP1.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 110405121
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113000271
N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide
CID 113000233
2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide
CID 84580719
N-[2-(3,4-dimethylphenyl)-2-oxoethyl]oxolane-2-carboxamide
CID 82121626
N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide
CID 51197534
(2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 94616637
(2R)-N-ethyl-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 126826032
2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
CID 130136658
(2R)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 9409375
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-2-carboxamide
CID 121137175

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]oxolane-2-carboxamide (CID 84580144) is N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]oxolane-2-carboxamide is O=C(CNC(=O)C1CCCO1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]oxolane-2-carboxamide?
The InChIKey is YGQUBZSWDLCSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-15(12-18-17(21)16-2-1-9-23-16)13-3-5-14(6-4-13)19-7-10-22-11-8-19/h3-6,16H,1-2,7-12H2,(H,18,21).
What are the key properties of N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]oxolane-2-carboxamide?
N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]oxolane-2-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]oxolane-2-carboxamide is sourced from PubChem (CID 84580144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).