(2S)-2-hydroxy-N-[(7S)-6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]propanamide

C26H26N2O4 — CID 58972488

IUPAC(2S)-2-hydroxy-N-[(7S)-6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]propanamide
SMILESC[C@H](O)C(=O)N[C@@H]1C(=O)N(CCOCc2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26N2O4/c1-18(29)25(30)27-24-22-13-6-5-11-20(22)21-12-7-8-14-23(21)28(26(24)31)15-16-32-17-19-9-3-2-4-10-19/h2-14,18,24,29H,15-17H2,1H3,(H,27,30)/t18-,24-/m0/s1
InChIKeyREGCSTOUHYMXGZ-UUOWRZLLSA-N
MW430.50 g/mol
LogP3.46
Rot. Bonds7

About (2S)-2-hydroxy-N-[(7S)-6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]propanamide

(2S)-2-hydroxy-N-[(7S)-6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]propanamide (PubChem CID 58972488) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(7S)-6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[(7S)-6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]propanamide
PubChem CID58972488
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name(2S)-2-hydroxy-N-[(7S)-6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]propanamide
SMILESC[C@H](O)C(=O)N[C@@H]1C(=O)N(CCOCc2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26N2O4/c1-18(29)25(30)27-24-22-13-6-5-11-20(22)21-12-7-8-14-23(21)28(26(24)31)15-16-32-17-19-9-3-2-4-10-19/h2-14,18,24,29H,15-17H2,1H3,(H,27,30)/t18-,24-/m0/s1
InChIKeyREGCSTOUHYMXGZ-UUOWRZLLSA-N
XLogP3.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-hydroxy-N-[(7S)-6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]propanamide 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

2-ethoxy-N-[(7S)-6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
CID 58972527
(2R)-2-fluoro-2-methyl-N-[(7S)-6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]-N'-(3,3,4,4,4-pentafluorobutyl)propanediamide
CID 58972516
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[6-oxo-5-(4-phenylbutyl)-7H-benzo[d][1]benzazepin-7-yl]propanamide
CID 10303706
[(2S)-1-[(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)amino]-1-oxopropan-2-yl] N-benzyl-N-methylcarbamate
CID 11374519
2,2-dimethyl-N-[(7S)-6-oxo-5-(2-propan-2-yloxyethyl)-7H-benzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
CID 58972519
(2R,3S)-N-(5-benzyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)-2-(cyclopropylmethyl)-3-hydroxyheptanamide
CID 154430918
(2S,3R)-N'-(5-benzyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)-3-(2-methylpropyl)-2-propylbutanediamide
CID 69058751
5-methyl-3-[(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)carbamoyl]hexanoic acid
CID 142005649
2-methyl-N-(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)-N'-(3-propan-2-yloxypropyl)propanediamide
CID 21072538
2-ethoxy-N-[(7S)-5-(2-hydroxyethyl)-6-oxo-7H-benzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
CID 24876784
[(2S)-1-[[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]amino]-1-oxopropan-2-yl] N-(2-methoxyethyl)carbamate
CID 91409946
[1-[[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]amino]-1-oxopropan-2-yl] N-(2-methoxyethyl)carbamate
CID 90908417

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(7S)-6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]propanamide?
The IUPAC name of (2S)-2-hydroxy-N-[(7S)-6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]propanamide (CID 58972488) is (2S)-2-hydroxy-N-[(7S)-6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]propanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[(7S)-6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]propanamide?
The canonical SMILES for (2S)-2-hydroxy-N-[(7S)-6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]propanamide is C[C@H](O)C(=O)N[C@@H]1C(=O)N(CCOCc2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of (2S)-2-hydroxy-N-[(7S)-6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]propanamide?
The InChIKey is REGCSTOUHYMXGZ-UUOWRZLLSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-18(29)25(30)27-24-22-13-6-5-11-20(22)21-12-7-8-14-23(21)28(26(24)31)15-16-32-17-19-9-3-2-4-10-19/h2-14,18,24,29H,15-17H2,1H3,(H,27,30)/t18-,24-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-[(7S)-6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]propanamide?
(2S)-2-hydroxy-N-[(7S)-6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]propanamide has a molecular weight of 430.50 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[(7S)-6-oxo-5-(2-phenylmethoxyethyl)-7H-benzo[d][1]benzazepin-7-yl]propanamide is sourced from PubChem (CID 58972488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).