N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide

C26H26N2O3 — CID 24643832

IUPACN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide
SMILESCc1ccc(C(CNC(=O)c2ccc(C#Cc3ccccc3)cc2)N2CCOCC2)o1
InChIInChI=1S/C26H26N2O3/c1-20-7-14-25(31-20)24(28-15-17-30-18-16-28)19-27-26(29)23-12-10-22(11-13-23)9-8-21-5-3-2-4-6-21/h2-7,10-14,24H,15-19H2,1H3,(H,27,29)
InChIKeyPTRQTUXFFXJGPH-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.79
Rot. Bonds5

About N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide (PubChem CID 24643832) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide
PubChem CID24643832
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide
SMILESCc1ccc(C(CNC(=O)c2ccc(C#Cc3ccccc3)cc2)N2CCOCC2)o1
InChIInChI=1S/C26H26N2O3/c1-20-7-14-25(31-20)24(28-15-17-30-18-16-28)19-27-26(29)23-12-10-22(11-13-23)9-8-21-5-3-2-4-6-21/h2-7,10-14,24H,15-19H2,1H3,(H,27,29)
InChIKeyPTRQTUXFFXJGPH-UHFFFAOYSA-N
XLogP3.79
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834523
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834521
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 18164203
4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 55821677
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-phenylsulfanylacetamide
CID 134039005
1-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylurea
CID 30089006
5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide
CID 42895264
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide
CID 51283099
3,5-diacetamido-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 26010903
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
CID 18168885
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyridine-2-carboxamide
CID 51074519

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide (CID 24643832) is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide is Cc1ccc(C(CNC(=O)c2ccc(C#Cc3ccccc3)cc2)N2CCOCC2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide?
The InChIKey is PTRQTUXFFXJGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-20-7-14-25(31-20)24(28-15-17-30-18-16-28)19-27-26(29)23-12-10-22(11-13-23)9-8-21-5-3-2-4-6-21/h2-7,10-14,24H,15-19H2,1H3,(H,27,29).
What are the key properties of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide?
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide has a molecular weight of 414.51 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide is sourced from PubChem (CID 24643832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).