3-(4-tert-butylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide

C20H22N2O — CID 23627982

IUPAC3-(4-tert-butylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide
SMILESCC(C)(C)c1ccc(C#CC(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C20H22N2O/c1-20(2,3)17-10-7-16(8-11-17)9-12-19(23)22-15-13-18-6-4-5-14-21-18/h4-8,10-11,14H,13,15H2,1-3H3,(H,22,23)
InChIKeyANNZMJVEKWSWGO-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.09
Rot. Bonds3

About 3-(4-tert-butylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide

3-(4-tert-butylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide (PubChem CID 23627982) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide
PubChem CID23627982
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name3-(4-tert-butylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide
SMILESCC(C)(C)c1ccc(C#CC(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C20H22N2O/c1-20(2,3)17-10-7-16(8-11-17)9-12-19(23)22-15-13-18-6-4-5-14-21-18/h4-8,10-11,14H,13,15H2,1-3H3,(H,22,23)
InChIKeyANNZMJVEKWSWGO-UHFFFAOYSA-N
XLogP3.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide
CID 23627984
3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide
CID 126840803
4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 78784602
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-methoxy-2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 58929163
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea
CID 91316949
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
2-amino-2-methyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 60846982

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide (CID 23627982) is 3-(4-tert-butylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide is CC(C)(C)c1ccc(C#CC(=O)NCCc2ccccn2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide?
The InChIKey is ANNZMJVEKWSWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-20(2,3)17-10-7-16(8-11-17)9-12-19(23)22-15-13-18-6-4-5-14-21-18/h4-8,10-11,14H,13,15H2,1-3H3,(H,22,23).
What are the key properties of 3-(4-tert-butylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide?
3-(4-tert-butylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide has a molecular weight of 306.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide is sourced from PubChem (CID 23627982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).