N-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide

C22H26N2O2 — CID 51282418

IUPACN-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)N2CC=C(c3ccc(O)cc3)CC2)c(C)c1
InChIInChI=1S/C22H26N2O2/c1-15-4-9-21(16(2)14-15)23-22(26)17(3)24-12-10-19(11-13-24)18-5-7-20(25)8-6-18/h4-10,14,17,25H,11-13H2,1-3H3,(H,23,26)
InChIKeyDOCQKOOEIXIYHB-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.13
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide

N-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (PubChem CID 51282418) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
PubChem CID51282418
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)N2CC=C(c3ccc(O)cc3)CC2)c(C)c1
InChIInChI=1S/C22H26N2O2/c1-15-4-9-21(16(2)14-15)23-22(26)17(3)24-12-10-19(11-13-24)18-5-7-20(25)8-6-18/h4-10,14,17,25H,11-13H2,1-3H3,(H,23,26)
InChIKeyDOCQKOOEIXIYHB-UHFFFAOYSA-N
XLogP4.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 18125111
N-(2,5-difluorophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 24682332
N-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 55470406
(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9460338
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495104
(2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495119
(2R)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250150
ethyl 4-[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 9431101
(2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 8513088
(2R)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431310
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9275187
2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide
CID 51334142

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (CID 51282418) is N-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide is Cc1ccc(NC(=O)C(C)N2CC=C(c3ccc(O)cc3)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The InChIKey is DOCQKOOEIXIYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15-4-9-21(16(2)14-15)23-22(26)17(3)24-12-10-19(11-13-24)18-5-7-20(25)8-6-18/h4-10,14,17,25H,11-13H2,1-3H3,(H,23,26).
What are the key properties of N-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
N-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide has a molecular weight of 350.46 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide is sourced from PubChem (CID 51282418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).