N-(2-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(3-methoxyphenoxy)acetamide

C26H26N2O4 — CID 67673612

IUPACN-(2-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NN2c3ccccc3CCCC2C(=O)c2ccccc2)c1
InChIInChI=1S/C26H26N2O4/c1-31-21-13-8-14-22(17-21)32-18-25(29)27-28-23-15-6-5-9-19(23)12-7-16-24(28)26(30)20-10-3-2-4-11-20/h2-6,8-11,13-15,17,24H,7,12,16,18H2,1H3,(H,27,29)
InChIKeyDRFYCJPAYBQMIH-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.20
Rot. Bonds7

About N-(2-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(3-methoxyphenoxy)acetamide

N-(2-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(3-methoxyphenoxy)acetamide (PubChem CID 67673612) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-(2-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(3-methoxyphenoxy)acetamide
PubChem CID67673612
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC NameN-(2-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NN2c3ccccc3CCCC2C(=O)c2ccccc2)c1
InChIInChI=1S/C26H26N2O4/c1-31-21-13-8-14-22(17-21)32-18-25(29)27-28-23-15-6-5-9-19(23)12-7-16-24(28)26(30)20-10-3-2-4-11-20/h2-6,8-11,13-15,17,24H,7,12,16,18H2,1H3,(H,27,29)
InChIKeyDRFYCJPAYBQMIH-UHFFFAOYSA-N
XLogP4.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(3-methoxyphenoxy)acetamide 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

N-(1-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl)-2-(3-methylphenoxy)acetamide
CID 67672306
2-(6-acetamidohexoxy)-N-(2-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)benzamide
CID 67674085
(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 39165023
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43227216
4-(3-methoxyphenoxy)-3-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanamide
CID 87871029
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029
2-[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]-1-phenylethanone
CID 102132540
cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678646
N-cyclopropyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide
CID 60522591
2-(3-methoxyphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277213
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8554618

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-(2-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(3-methoxyphenoxy)acetamide (CID 67673612) is N-(2-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(2-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-(2-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)NN2c3ccccc3CCCC2C(=O)c2ccccc2)c1.
What is the InChIKey of N-(2-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(3-methoxyphenoxy)acetamide?
The InChIKey is DRFYCJPAYBQMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-31-21-13-8-14-22(17-21)32-18-25(29)27-28-23-15-6-5-9-19(23)12-7-16-24(28)26(30)20-10-3-2-4-11-20/h2-6,8-11,13-15,17,24H,7,12,16,18H2,1H3,(H,27,29).
What are the key properties of N-(2-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(3-methoxyphenoxy)acetamide?
N-(2-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(3-methoxyphenoxy)acetamide has a molecular weight of 430.50 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 67673612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).