3-(4-tert-butylphenyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide

C26H28N2O — CID 18267398

IUPAC3-(4-tert-butylphenyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1
InChIInChI=1S/C26H28N2O/c1-26(2,3)22-14-10-20(11-15-22)13-17-25(29)28-24-9-6-7-21(19-24)12-16-23-8-4-5-18-27-23/h4-12,14-16,18-19H,13,17H2,1-3H3,(H,28,29)/b16-12+
InChIKeyHEAJERBBMDDISD-FOWTUZBSSA-N
MW384.52 g/mol
LogP6.12
Rot. Bonds6

About 3-(4-tert-butylphenyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide

3-(4-tert-butylphenyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide (PubChem CID 18267398) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide
PubChem CID18267398
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name3-(4-tert-butylphenyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1
InChIInChI=1S/C26H28N2O/c1-26(2,3)22-14-10-20(11-15-22)13-17-25(29)28-24-9-6-7-21(19-24)12-16-23-8-4-5-18-27-23/h4-12,14-16,18-19H,13,17H2,1-3H3,(H,28,29)/b16-12+
InChIKeyHEAJERBBMDDISD-FOWTUZBSSA-N
XLogP6.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide
CID 19221190
N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 41479391
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 8832165
4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide
CID 92681733
4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
CID 8751018
N-[3-[3-(4-tert-butylphenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 55573150
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 9120373
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795397
2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
CID 8751013
4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide
CID 100591859
4-[3-[(E)-2-[6-[4-(4-tert-butylphenyl)butoxymethyl]-2-pyridinyl]ethenyl]anilino]-2,2-diethyl-4-oxobutanoic acid
CID 19772300

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide (CID 18267398) is 3-(4-tert-butylphenyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide is CC(C)(C)c1ccc(CCC(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide?
The InChIKey is HEAJERBBMDDISD-FOWTUZBSSA-N. The full InChI is InChI=1S/C26H28N2O/c1-26(2,3)22-14-10-20(11-15-22)13-17-25(29)28-24-9-6-7-21(19-24)12-16-23-8-4-5-18-27-23/h4-12,14-16,18-19H,13,17H2,1-3H3,(H,28,29)/b16-12+.
What are the key properties of 3-(4-tert-butylphenyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide?
3-(4-tert-butylphenyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide has a molecular weight of 384.52 g/mol, XLogP of 6.12, 6 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-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide is sourced from PubChem (CID 18267398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).