N-[1-[4-[2-[4-(2-imidazol-1-ylethoxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide

C24H25N3O2 — CID 66635162

IUPACN-[1-[4-[2-[4-(2-imidazol-1-ylethoxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(C#Cc2ccc(OCCn3ccnc3)cc2)cc1
InChIInChI=1S/C24H25N3O2/c1-19(26-20(2)28)17-23-7-5-21(6-8-23)3-4-22-9-11-24(12-10-22)29-16-15-27-14-13-25-18-27/h5-14,18-19H,15-17H2,1-2H3,(H,26,28)
InChIKeyWHBMXMHGZSLLNN-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.43
Rot. Bonds7

About N-[1-[4-[2-[4-(2-imidazol-1-ylethoxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide

N-[1-[4-[2-[4-(2-imidazol-1-ylethoxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide (PubChem CID 66635162) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[1-[4-[2-[4-(2-imidazol-1-ylethoxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[2-[4-(2-imidazol-1-ylethoxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide
PubChem CID66635162
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[1-[4-[2-[4-(2-imidazol-1-ylethoxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(C#Cc2ccc(OCCn3ccnc3)cc2)cc1
InChIInChI=1S/C24H25N3O2/c1-19(26-20(2)28)17-23-7-5-21(6-8-23)3-4-22-9-11-24(12-10-22)29-16-15-27-14-13-25-18-27/h5-14,18-19H,15-17H2,1-2H3,(H,26,28)
InChIKeyWHBMXMHGZSLLNN-UHFFFAOYSA-N
XLogP3.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-imidazol-1-ylethoxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[1-[4-[2-[4-(2-imidazol-1-ylethoxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide (CID 66635162) is N-[1-[4-[2-[4-(2-imidazol-1-ylethoxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-[2-[4-(2-imidazol-1-ylethoxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-[2-[4-(2-imidazol-1-ylethoxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide is CC(=O)NC(C)Cc1ccc(C#Cc2ccc(OCCn3ccnc3)cc2)cc1.
What is the InChIKey of N-[1-[4-[2-[4-(2-imidazol-1-ylethoxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide?
The InChIKey is WHBMXMHGZSLLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-19(26-20(2)28)17-23-7-5-21(6-8-23)3-4-22-9-11-24(12-10-22)29-16-15-27-14-13-25-18-27/h5-14,18-19H,15-17H2,1-2H3,(H,26,28).
What are the key properties of N-[1-[4-[2-[4-(2-imidazol-1-ylethoxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide?
N-[1-[4-[2-[4-(2-imidazol-1-ylethoxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide has a molecular weight of 387.48 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-[4-(2-imidazol-1-ylethoxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 66635162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).