ethane;1-[4-[(2-ethenyl-3-hydroxyphenoxy)methyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone

C24H29NO3 — CID 145045533

IUPACethane;1-[4-[(2-ethenyl-3-hydroxyphenoxy)methyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESC=Cc1c(O)cccc1OCC1=C(c2ccccc2)CN(C(C)=O)CC1.CC
InChIInChI=1S/C22H23NO3.C2H6/c1-3-19-21(25)10-7-11-22(19)26-15-18-12-13-23(16(2)24)14-20(18)17-8-5-4-6-9-17;1-2/h3-11,25H,1,12-15H2,2H3;1-2H3
InChIKeyZFUOCONXNIPCLB-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.15
Rot. Bonds5

About ethane;1-[4-[(2-ethenyl-3-hydroxyphenoxy)methyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone

ethane;1-[4-[(2-ethenyl-3-hydroxyphenoxy)methyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 145045533) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is ethane;1-[4-[(2-ethenyl-3-hydroxyphenoxy)methyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-[(2-ethenyl-3-hydroxyphenoxy)methyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID145045533
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Nameethane;1-[4-[(2-ethenyl-3-hydroxyphenoxy)methyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESC=Cc1c(O)cccc1OCC1=C(c2ccccc2)CN(C(C)=O)CC1.CC
InChIInChI=1S/C22H23NO3.C2H6/c1-3-19-21(25)10-7-11-22(19)26-15-18-12-13-23(16(2)24)14-20(18)17-8-5-4-6-9-17;1-2/h3-11,25H,1,12-15H2,2H3;1-2H3
InChIKeyZFUOCONXNIPCLB-UHFFFAOYSA-N
XLogP5.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;1-[4-[(2-ethenyl-3-hydroxyphenoxy)methyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[[(2S)-pentan-2-yl]oxymethyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 118374703
5-[(1-acetyl-4-phenyl-3,6-dihydro-2H-pyridin-5-yl)methoxy]-2-methoxypyridine-4-carbaldehyde
CID 86303718
2-ethenyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]phenol
CID 90444133
2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde
CID 90426997
1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone
CID 35741660
5-phenyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
CID 91432306
1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 19375487
1-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 58777842
2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 86298334
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-2-en-1-one
CID 26052907
1-(2-amino-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;hydrate
CID 19883212

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[(2-ethenyl-3-hydroxyphenoxy)methyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of ethane;1-[4-[(2-ethenyl-3-hydroxyphenoxy)methyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 145045533) is ethane;1-[4-[(2-ethenyl-3-hydroxyphenoxy)methyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[4-[(2-ethenyl-3-hydroxyphenoxy)methyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for ethane;1-[4-[(2-ethenyl-3-hydroxyphenoxy)methyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone is C=Cc1c(O)cccc1OCC1=C(c2ccccc2)CN(C(C)=O)CC1.CC.
What is the InChIKey of ethane;1-[4-[(2-ethenyl-3-hydroxyphenoxy)methyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is ZFUOCONXNIPCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3.C2H6/c1-3-19-21(25)10-7-11-22(19)26-15-18-12-13-23(16(2)24)14-20(18)17-8-5-4-6-9-17;1-2/h3-11,25H,1,12-15H2,2H3;1-2H3.
What are the key properties of ethane;1-[4-[(2-ethenyl-3-hydroxyphenoxy)methyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone?
ethane;1-[4-[(2-ethenyl-3-hydroxyphenoxy)methyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 379.50 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[(2-ethenyl-3-hydroxyphenoxy)methyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 145045533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).