N-(4-methoxyphenyl)-3-phenylprop-2-ynamide

C16H13NO2 — CID 6470129

IUPACN-(4-methoxyphenyl)-3-phenylprop-2-ynamide
SMILESCOc1ccc(NC(=O)C#Cc2ccccc2)cc1
InChIInChI=1S/C16H13NO2/c1-19-15-10-8-14(9-11-15)17-16(18)12-7-13-5-3-2-4-6-13/h2-6,8-11H,1H3,(H,17,18)
InChIKeyLDVRUGKDDZWJJO-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.69
Rot. Bonds2

About N-(4-methoxyphenyl)-3-phenylprop-2-ynamide

N-(4-methoxyphenyl)-3-phenylprop-2-ynamide (PubChem CID 6470129) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-phenylprop-2-ynamide
PubChem CID6470129
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC NameN-(4-methoxyphenyl)-3-phenylprop-2-ynamide
SMILESCOc1ccc(NC(=O)C#Cc2ccccc2)cc1
InChIInChI=1S/C16H13NO2/c1-19-15-10-8-14(9-11-15)17-16(18)12-7-13-5-3-2-4-6-13/h2-6,8-11H,1H3,(H,17,18)
InChIKeyLDVRUGKDDZWJJO-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-methoxyphenyl)-3-phenylprop-2-ynamide?
The IUPAC name of N-(4-methoxyphenyl)-3-phenylprop-2-ynamide (CID 6470129) is N-(4-methoxyphenyl)-3-phenylprop-2-ynamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-phenylprop-2-ynamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-phenylprop-2-ynamide is COc1ccc(NC(=O)C#Cc2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-phenylprop-2-ynamide?
The InChIKey is LDVRUGKDDZWJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-19-15-10-8-14(9-11-15)17-16(18)12-7-13-5-3-2-4-6-13/h2-6,8-11H,1H3,(H,17,18).
What are the key properties of N-(4-methoxyphenyl)-3-phenylprop-2-ynamide?
N-(4-methoxyphenyl)-3-phenylprop-2-ynamide has a molecular weight of 251.28 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-phenylprop-2-ynamide is sourced from PubChem (CID 6470129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).