1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one

C25H26N2O3 — CID 58042869

IUPAC1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one
SMILESCN1CCc2ccc(C(=O)Cn3ccc(OCc4ccccc4)cc3=O)cc2CC1
InChIInChI=1S/C25H26N2O3/c1-26-12-9-20-7-8-22(15-21(20)10-13-26)24(28)17-27-14-11-23(16-25(27)29)30-18-19-5-3-2-4-6-19/h2-8,11,14-16H,9-10,12-13,17-18H2,1H3
InChIKeyAADPSJNUCLGMND-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.34
Rot. Bonds6

About 1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one

1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one (PubChem CID 58042869) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one
PubChem CID58042869
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one
SMILESCN1CCc2ccc(C(=O)Cn3ccc(OCc4ccccc4)cc3=O)cc2CC1
InChIInChI=1S/C25H26N2O3/c1-26-12-9-20-7-8-22(15-21(20)10-13-26)24(28)17-27-14-11-23(16-25(27)29)30-18-19-5-3-2-4-6-19/h2-8,11,14-16H,9-10,12-13,17-18H2,1H3
InChIKeyAADPSJNUCLGMND-UHFFFAOYSA-N
XLogP3.34
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

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-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 58042744
1-[2-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-oxoethyl]-4-[(5-methyl-2-pyridinyl)methoxy]pyridin-2-one
CID 91493308
1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 71730920
4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one
CID 58042745
1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one
CID 91337677
1-[2-[5-(aminomethyl)-2-pyridinyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 143850273
benzyl 2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxylate
CID 170318468
1-[2-hydroxy-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]-4-phenylmethoxypyridin-2-one
CID 58042710
2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one
CID 58042826
4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one
CID 58042761
1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(3-phenylmethoxyphenyl)urea
CID 54334124

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one (CID 58042869) is 1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one is CN1CCc2ccc(C(=O)Cn3ccc(OCc4ccccc4)cc3=O)cc2CC1.
What is the InChIKey of 1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is AADPSJNUCLGMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-26-12-9-20-7-8-22(15-21(20)10-13-26)24(28)17-27-14-11-23(16-25(27)29)30-18-19-5-3-2-4-6-19/h2-8,11,14-16H,9-10,12-13,17-18H2,1H3.
What are the key properties of 1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one?
1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 402.49 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 58042869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).