N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide

C28H32N4O3 — CID 118753996

IUPACN-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide
SMILESO=C(CN1Cc2ccccc2OC(c2ccccc2)C1)NCC(c1ccncc1)N1CCOCC1
InChIInChI=1S/C28H32N4O3/c33-28(30-18-25(22-10-12-29-13-11-22)32-14-16-34-17-15-32)21-31-19-24-8-4-5-9-26(24)35-27(20-31)23-6-2-1-3-7-23/h1-13,25,27H,14-21H2,(H,30,33)
InChIKeyYLWOZHJULZKJFE-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.21
Rot. Bonds7

About N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide

N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide (PubChem CID 118753996) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide
PubChem CID118753996
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC NameN-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide
SMILESO=C(CN1Cc2ccccc2OC(c2ccccc2)C1)NCC(c1ccncc1)N1CCOCC1
InChIInChI=1S/C28H32N4O3/c33-28(30-18-25(22-10-12-29-13-11-22)32-14-16-34-17-15-32)21-31-19-24-8-4-5-9-26(24)35-27(20-31)23-6-2-1-3-7-23/h1-13,25,27H,14-21H2,(H,30,33)
InChIKeyYLWOZHJULZKJFE-UHFFFAOYSA-N
XLogP3.21
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)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-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanamide
CID 45231812
N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide
CID 30852484
N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propanamide
CID 28634478
2-[(2S)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide
CID 28668134
2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide
CID 45233738
N-(1,2-oxazol-3-ylmethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide
CID 45226832
2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]acetamide
CID 51901430
2-[(2R)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-morpholin-4-yl-2-pyridin-2-ylethyl]acetamide
CID 26277355
2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-morpholin-4-yl-2-pyridin-2-ylethyl]acetamide
CID 26277357
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide
CID 45202977
N-[2-(azepan-1-yl)-2-phenylethyl]-2-morpholin-4-ylacetamide
CID 118792707
2-cyclohexyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]acetamide
CID 99927953

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide?
The IUPAC name of N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide (CID 118753996) is N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide is O=C(CN1Cc2ccccc2OC(c2ccccc2)C1)NCC(c1ccncc1)N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide?
The InChIKey is YLWOZHJULZKJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c33-28(30-18-25(22-10-12-29-13-11-22)32-14-16-34-17-15-32)21-31-19-24-8-4-5-9-26(24)35-27(20-31)23-6-2-1-3-7-23/h1-13,25,27H,14-21H2,(H,30,33).
What are the key properties of N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide?
N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide has a molecular weight of 472.59 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide is sourced from PubChem (CID 118753996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).