1-[2-hydroxy-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]-4-phenylmethoxypyridin-2-one

C24H26N2O3 — CID 58042710

IUPAC1-[2-hydroxy-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1CC(O)c1ccc2c(c1)CCNCC2
InChIInChI=1S/C24H26N2O3/c27-23(21-7-6-19-8-11-25-12-9-20(19)14-21)16-26-13-10-22(15-24(26)28)29-17-18-4-2-1-3-5-18/h1-7,10,13-15,23,25,27H,8-9,11-12,16-17H2
InChIKeyWOPWTZJAARJCED-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.85
Rot. Bonds6

About 1-[2-hydroxy-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]-4-phenylmethoxypyridin-2-one

1-[2-hydroxy-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]-4-phenylmethoxypyridin-2-one (PubChem CID 58042710) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]-4-phenylmethoxypyridin-2-one
PubChem CID58042710
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name1-[2-hydroxy-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1CC(O)c1ccc2c(c1)CCNCC2
InChIInChI=1S/C24H26N2O3/c27-23(21-7-6-19-8-11-25-12-9-20(19)14-21)16-26-13-10-22(15-24(26)28)29-17-18-4-2-1-3-5-18/h1-7,10,13-15,23,25,27H,8-9,11-12,16-17H2
InChIKeyWOPWTZJAARJCED-UHFFFAOYSA-N
XLogP2.85
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-hydroxy-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]-4-phenylmethoxypyridin-2-one with MolForge

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Related Compounds

1-[2-hydroxy-2-[7-(3,3,3-trifluoro-2-oxopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]ethyl]-4-phenylmethoxypyridin-2-one
CID 143632820
4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one
CID 58042745
4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one
CID 58042761
1-[2-(7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulen-3-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 143632818
1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 58042869
1-[2-[4-(morpholin-4-ylmethyl)phenyl]propyl]-4-phenylmethoxypyridin-2-one
CID 25029072
4-(pyridin-2-ylmethoxy)-1-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]pyridin-2-one
CID 58042699
1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one
CID 91337677
1-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-4-phenylmethoxy-2H-pyridin-2-ol
CID 143632802
1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 4303694
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethoxy)phenol
CID 59027955

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[2-hydroxy-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]-4-phenylmethoxypyridin-2-one (CID 58042710) is 1-[2-hydroxy-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[2-hydroxy-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[2-hydroxy-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]-4-phenylmethoxypyridin-2-one is O=c1cc(OCc2ccccc2)ccn1CC(O)c1ccc2c(c1)CCNCC2.
What is the InChIKey of 1-[2-hydroxy-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is WOPWTZJAARJCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-23(21-7-6-19-8-11-25-12-9-20(19)14-21)16-26-13-10-22(15-24(26)28)29-17-18-4-2-1-3-5-18/h1-7,10,13-15,23,25,27H,8-9,11-12,16-17H2.
What are the key properties of 1-[2-hydroxy-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]-4-phenylmethoxypyridin-2-one?
1-[2-hydroxy-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 390.48 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 58042710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).