N-[1-[4-[2-(2-phenylmethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide

C25H24N2O2 — CID 66635020

IUPACN-[1-[4-[2-(2-phenylmethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(C#Cc2ccnc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C25H24N2O2/c1-19(27-20(2)28)16-22-11-8-21(9-12-22)10-13-23-14-15-26-25(17-23)29-18-24-6-4-3-5-7-24/h3-9,11-12,14-15,17,19H,16,18H2,1-2H3,(H,27,28)
InChIKeyIBBYBJXFDRSBPQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.13
Rot. Bonds6

About N-[1-[4-[2-(2-phenylmethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide

N-[1-[4-[2-(2-phenylmethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide (PubChem CID 66635020) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[1-[4-[2-(2-phenylmethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[2-(2-phenylmethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide
PubChem CID66635020
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-[1-[4-[2-(2-phenylmethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(C#Cc2ccnc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C25H24N2O2/c1-19(27-20(2)28)16-22-11-8-21(9-12-22)10-13-23-14-15-26-25(17-23)29-18-24-6-4-3-5-7-24/h3-9,11-12,14-15,17,19H,16,18H2,1-2H3,(H,27,28)
InChIKeyIBBYBJXFDRSBPQ-UHFFFAOYSA-N
XLogP4.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[4-[2-(2-ethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]-1,1-dimethylurea
CID 66635532
N-[1-[4-(2-naphthalen-2-ylethynyl)phenyl]propan-2-yl]acetamide
CID 66634823
methane;N-[(2S)-1-[4-[2-(6-phenoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide
CID 159102988
N-[1-[4-[2-(6-methoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide
CID 66634983
N-[1-[4-[2-[4-(methylaminomethyl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide
CID 123967910
N-[1-[4-[2-[2-(2-methoxyethoxy)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide
CID 90429585
N-[1-[4-[2-[2-(ethylamino)pyrimidin-4-yl]ethynyl]phenyl]propan-2-yl]acetamide
CID 66635496
N-(1-phenylpropan-2-yl)acetamide;toluene
CID 157258470
N-[1-[4-[2-[4-(3,3,3-trifluoropropoxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide
CID 90429515
ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide
CID 177356857
N-[1-[4-[2-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide
CID 66635291
3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide
CID 70988226

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(2-phenylmethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[1-[4-[2-(2-phenylmethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide (CID 66635020) is N-[1-[4-[2-(2-phenylmethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-[2-(2-phenylmethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-[2-(2-phenylmethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide is CC(=O)NC(C)Cc1ccc(C#Cc2ccnc(OCc3ccccc3)c2)cc1.
What is the InChIKey of N-[1-[4-[2-(2-phenylmethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide?
The InChIKey is IBBYBJXFDRSBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-19(27-20(2)28)16-22-11-8-21(9-12-22)10-13-23-14-15-26-25(17-23)29-18-24-6-4-3-5-7-24/h3-9,11-12,14-15,17,19H,16,18H2,1-2H3,(H,27,28).
What are the key properties of N-[1-[4-[2-(2-phenylmethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide?
N-[1-[4-[2-(2-phenylmethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(2-phenylmethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 66635020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).