N-[1-[4-[2-(4-morpholin-4-ylphenyl)ethynyl]phenyl]propan-2-yl]acetamide

C23H26N2O2 — CID 90429533

IUPACN-[1-[4-[2-(4-morpholin-4-ylphenyl)ethynyl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(C#Cc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H26N2O2/c1-18(24-19(2)26)17-22-7-5-20(6-8-22)3-4-21-9-11-23(12-10-21)25-13-15-27-16-14-25/h5-12,18H,13-17H2,1-2H3,(H,24,26)
InChIKeyXTLVJXDTVJKXNW-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.99
Rot. Bonds4

About N-[1-[4-[2-(4-morpholin-4-ylphenyl)ethynyl]phenyl]propan-2-yl]acetamide

N-[1-[4-[2-(4-morpholin-4-ylphenyl)ethynyl]phenyl]propan-2-yl]acetamide (PubChem CID 90429533) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[1-[4-[2-(4-morpholin-4-ylphenyl)ethynyl]phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[2-(4-morpholin-4-ylphenyl)ethynyl]phenyl]propan-2-yl]acetamide
PubChem CID90429533
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[1-[4-[2-(4-morpholin-4-ylphenyl)ethynyl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(C#Cc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H26N2O2/c1-18(24-19(2)26)17-22-7-5-20(6-8-22)3-4-21-9-11-23(12-10-21)25-13-15-27-16-14-25/h5-12,18H,13-17H2,1-2H3,(H,24,26)
InChIKeyXTLVJXDTVJKXNW-UHFFFAOYSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(4-morpholin-4-ylphenyl)ethynyl]phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[1-[4-[2-(4-morpholin-4-ylphenyl)ethynyl]phenyl]propan-2-yl]acetamide (CID 90429533) is N-[1-[4-[2-(4-morpholin-4-ylphenyl)ethynyl]phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-[2-(4-morpholin-4-ylphenyl)ethynyl]phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-[2-(4-morpholin-4-ylphenyl)ethynyl]phenyl]propan-2-yl]acetamide is CC(=O)NC(C)Cc1ccc(C#Cc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N-[1-[4-[2-(4-morpholin-4-ylphenyl)ethynyl]phenyl]propan-2-yl]acetamide?
The InChIKey is XTLVJXDTVJKXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-18(24-19(2)26)17-22-7-5-20(6-8-22)3-4-21-9-11-23(12-10-21)25-13-15-27-16-14-25/h5-12,18H,13-17H2,1-2H3,(H,24,26).
What are the key properties of N-[1-[4-[2-(4-morpholin-4-ylphenyl)ethynyl]phenyl]propan-2-yl]acetamide?
N-[1-[4-[2-(4-morpholin-4-ylphenyl)ethynyl]phenyl]propan-2-yl]acetamide has a molecular weight of 362.47 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(4-morpholin-4-ylphenyl)ethynyl]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 90429533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).