(3R)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C18H20N2O — CID 10493022

IUPAC(3R)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESC[C@H](N[C@@H]1CCc2ccccc2NC1=O)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-13(14-7-3-2-4-8-14)19-17-12-11-15-9-5-6-10-16(15)20-18(17)21/h2-10,13,17,19H,11-12H2,1H3,(H,20,21)/t13-,17+/m0/s1
InChIKeyJGHYNVSYTNERGK-SUMWQHHRSA-N
MW280.37 g/mol
LogP3.29
Rot. Bonds3

About (3R)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one

(3R)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 10493022) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (3R)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name(3R)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID10493022
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(3R)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESC[C@H](N[C@@H]1CCc2ccccc2NC1=O)c1ccccc1
InChIInChI=1S/C18H20N2O/c1-13(14-7-3-2-4-8-14)19-17-12-11-15-9-5-6-10-16(15)20-18(17)21/h2-10,13,17,19H,11-12H2,1H3,(H,20,21)/t13-,17+/m0/s1
InChIKeyJGHYNVSYTNERGK-SUMWQHHRSA-N
XLogP3.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of (3R)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 10493022) is (3R)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for (3R)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for (3R)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is C[C@H](N[C@@H]1CCc2ccccc2NC1=O)c1ccccc1.
What is the InChIKey of (3R)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is JGHYNVSYTNERGK-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(14-7-3-2-4-8-14)19-17-12-11-15-9-5-6-10-16(15)20-18(17)21/h2-10,13,17,19H,11-12H2,1H3,(H,20,21)/t13-,17+/m0/s1.
What are the key properties of (3R)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
(3R)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 280.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 10493022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).