3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide

C19H22N2O — CID 2929509

IUPAC3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESCC(C)(C)c1ccc(C=CC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C19H22N2O/c1-19(2,3)16-10-7-15(8-11-16)9-12-18(22)21-14-17-6-4-5-13-20-17/h4-13H,14H2,1-3H3,(H,21,22)
InChIKeyBYHZETLKSKWQRS-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.71
Rot. Bonds4

About 3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide

3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 2929509) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
PubChem CID2929509
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESCC(C)(C)c1ccc(C=CC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C19H22N2O/c1-19(2,3)16-10-7-15(8-11-16)9-12-18(22)21-14-17-6-4-5-13-20-17/h4-13H,14H2,1-3H3,(H,21,22)
InChIKeyBYHZETLKSKWQRS-UHFFFAOYSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 886894
3-[3-(4-tert-butylphenyl)prop-2-enoylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 55782478
(E)-3-(3-amino-4-methylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 39366180
(E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 8895534
(E)-N-(pyridin-2-ylmethyl)but-2-enamide
CID 110459675
(E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 30878649
(E)-3-(4-tert-butylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 108760236
(E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 9414496
4-tert-butyl-N-(pyridin-2-ylmethylcarbamoyl)-N-sulfanylbenzamide
CID 89499214
N-(pyridin-2-ylmethyl)hexa-2,4-dienamide
CID 76860381
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 46798350
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 26591216

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide (CID 2929509) is 3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide is CC(C)(C)c1ccc(C=CC(=O)NCc2ccccn2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is BYHZETLKSKWQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-19(2,3)16-10-7-15(8-11-16)9-12-18(22)21-14-17-6-4-5-13-20-17/h4-13H,14H2,1-3H3,(H,21,22).
What are the key properties of 3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide has a molecular weight of 294.40 g/mol, XLogP of 3.71, 4 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-(pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 2929509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).