N-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-N,2-dimethylprop-2-enamide

C20H19NO2 — CID 154718801

IUPACN-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)c1ccccc1C#Cc1ccc(OC)cc1
InChIInChI=1S/C20H19NO2/c1-15(2)20(22)21(3)19-8-6-5-7-17(19)12-9-16-10-13-18(23-4)14-11-16/h5-8,10-11,13-14H,1H2,2-4H3
InChIKeyQCEWEMDDUHHQQL-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.63
Rot. Bonds3

About N-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-N,2-dimethylprop-2-enamide

N-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-N,2-dimethylprop-2-enamide (PubChem CID 154718801) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-N,2-dimethylprop-2-enamide
PubChem CID154718801
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC NameN-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)c1ccccc1C#Cc1ccc(OC)cc1
InChIInChI=1S/C20H19NO2/c1-15(2)20(22)21(3)19-8-6-5-7-17(19)12-9-16-10-13-18(23-4)14-11-16/h5-8,10-11,13-14H,1H2,2-4H3
InChIKeyQCEWEMDDUHHQQL-UHFFFAOYSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-N,2-dimethylprop-2-enamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-N,2-dimethylprop-2-enamide (CID 154718801) is N-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-N,2-dimethylprop-2-enamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-N,2-dimethylprop-2-enamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-N,2-dimethylprop-2-enamide is C=C(C)C(=O)N(C)c1ccccc1C#Cc1ccc(OC)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-N,2-dimethylprop-2-enamide?
The InChIKey is QCEWEMDDUHHQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-15(2)20(22)21(3)19-8-6-5-7-17(19)12-9-16-10-13-18(23-4)14-11-16/h5-8,10-11,13-14H,1H2,2-4H3.
What are the key properties of N-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-N,2-dimethylprop-2-enamide?
N-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-N,2-dimethylprop-2-enamide has a molecular weight of 305.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 154718801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).