2-phenylethyl 2-(1H-2-benzazepin-4-yl)acetate

C20H19NO2 — CID 154447312

IUPAC2-phenylethyl 2-(1H-2-benzazepin-4-yl)acetate
SMILESO=C(CC1=Cc2ccccc2CN=C1)OCCc1ccccc1
InChIInChI=1S/C20H19NO2/c22-20(23-11-10-16-6-2-1-3-7-16)13-17-12-18-8-4-5-9-19(18)15-21-14-17/h1-9,12,14H,10-11,13,15H2
InChIKeyLEFUTKBLPOWSRA-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.83
Rot. Bonds5

About 2-phenylethyl 2-(1H-2-benzazepin-4-yl)acetate

2-phenylethyl 2-(1H-2-benzazepin-4-yl)acetate (PubChem CID 154447312) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-phenylethyl 2-(1H-2-benzazepin-4-yl)acetate.

Molecular Properties

Compound Name2-phenylethyl 2-(1H-2-benzazepin-4-yl)acetate
PubChem CID154447312
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name2-phenylethyl 2-(1H-2-benzazepin-4-yl)acetate
SMILESO=C(CC1=Cc2ccccc2CN=C1)OCCc1ccccc1
InChIInChI=1S/C20H19NO2/c22-20(23-11-10-16-6-2-1-3-7-16)13-17-12-18-8-4-5-9-19(18)15-21-14-17/h1-9,12,14H,10-11,13,15H2
InChIKeyLEFUTKBLPOWSRA-UHFFFAOYSA-N
XLogP3.83
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenylethyl 2-(1H-2-benzazepin-4-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-(benzylideneamino)-2-phenylpropanoate
CID 381757
5,6-Dihydro-5,5-diphenyl-2H-1,4-oxazin-2-one
CID 25177993
Ethyl 3-benzylideneamino-3-phenylpropanoate
CID 129749147
N-[(1R)-2-methoxy-1-phenylethyl]-1-(2-methylphenyl)methanimine
CID 134877791
Ethyl 2-(benzylideneamino)-2-phenylacetate
CID 10400779
Ethyl 2-(benzylideneamino)-2-phenylbutanoate
CID 10517972
ethyl (2S)-2-[(2-methylphenyl)methylideneamino]-3-phenylpropanoate
CID 16059216
1-[2-(Benzyliminomethyl)phenyl]but-3-en-2-yl methyl carbonate
CID 20765019
Ethyl 2-(5-methyl-4,5-diphenylpyrrol-3-yl)acetate
CID 54012638
Methyl 2-(benzylideneamino)-2-phenylpent-4-enoate
CID 58589763
2-[1-(1-phenylethyl)-1H-2-benzazepin-4-yl]acetic acid
CID 69860965
2-[1-(2-phenylethyl)-1H-2-benzazepin-4-yl]acetic acid
CID 69860971

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-(1H-2-benzazepin-4-yl)acetate?
The IUPAC name of 2-phenylethyl 2-(1H-2-benzazepin-4-yl)acetate (CID 154447312) is 2-phenylethyl 2-(1H-2-benzazepin-4-yl)acetate.
What is the SMILES notation for 2-phenylethyl 2-(1H-2-benzazepin-4-yl)acetate?
The canonical SMILES for 2-phenylethyl 2-(1H-2-benzazepin-4-yl)acetate is O=C(CC1=Cc2ccccc2CN=C1)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl 2-(1H-2-benzazepin-4-yl)acetate?
The InChIKey is LEFUTKBLPOWSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c22-20(23-11-10-16-6-2-1-3-7-16)13-17-12-18-8-4-5-9-19(18)15-21-14-17/h1-9,12,14H,10-11,13,15H2.
What are the key properties of 2-phenylethyl 2-(1H-2-benzazepin-4-yl)acetate?
2-phenylethyl 2-(1H-2-benzazepin-4-yl)acetate has a molecular weight of 305.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-(1H-2-benzazepin-4-yl)acetate is sourced from PubChem (CID 154447312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).