N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide

C20H26N2O4 — CID 2998590

IUPACN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc(C)oc2C)N2CCOCC2)cc1
InChIInChI=1S/C20H26N2O4/c1-14-12-18(15(2)26-14)20(23)21-13-19(22-8-10-25-11-9-22)16-4-6-17(24-3)7-5-16/h4-7,12,19H,8-11,13H2,1-3H3,(H,21,23)
InChIKeyHAZRCKAZGIPDTA-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.71
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 2998590) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID2998590
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc(C)oc2C)N2CCOCC2)cc1
InChIInChI=1S/C20H26N2O4/c1-14-12-18(15(2)26-14)20(23)21-13-19(22-8-10-25-11-9-22)16-4-6-17(24-3)7-5-16/h4-7,12,19H,8-11,13H2,1-3H3,(H,21,23)
InChIKeyHAZRCKAZGIPDTA-UHFFFAOYSA-N
XLogP2.71
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide (CID 2998590) is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide is COc1ccc(C(CNC(=O)c2cc(C)oc2C)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is HAZRCKAZGIPDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14-12-18(15(2)26-14)20(23)21-13-19(22-8-10-25-11-9-22)16-4-6-17(24-3)7-5-16/h4-7,12,19H,8-11,13H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 2998590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).