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

C23H30N4O3 — CID 45233738

IUPAC2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide
SMILESCC1CN(CC(=O)NCC(c2cccnc2)N2CCOCC2)Cc2ccccc2O1
InChIInChI=1S/C23H30N4O3/c1-18-15-26(16-20-5-2-3-7-22(20)30-18)17-23(28)25-14-21(19-6-4-8-24-13-19)27-9-11-29-12-10-27/h2-8,13,18,21H,9-12,14-17H2,1H3,(H,25,28)
InChIKeyNMSVSULXQVDDIK-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.85
Rot. Bonds6

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

2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide (PubChem CID 45233738) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide
PubChem CID45233738
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide
SMILESCC1CN(CC(=O)NCC(c2cccnc2)N2CCOCC2)Cc2ccccc2O1
InChIInChI=1S/C23H30N4O3/c1-18-15-26(16-20-5-2-3-7-22(20)30-18)17-23(28)25-14-21(19-6-4-8-24-13-19)27-9-11-29-12-10-27/h2-8,13,18,21H,9-12,14-17H2,1H3,(H,25,28)
InChIKeyNMSVSULXQVDDIK-UHFFFAOYSA-N
XLogP1.85
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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
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
3-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]propanamide
CID 51901056
N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide
CID 118753996
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]acetamide
CID 126428078
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-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide
CID 90652629
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide
CID 110304051

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide (CID 45233738) is 2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide is CC1CN(CC(=O)NCC(c2cccnc2)N2CCOCC2)Cc2ccccc2O1.
What is the InChIKey of 2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide?
The InChIKey is NMSVSULXQVDDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-18-15-26(16-20-5-2-3-7-22(20)30-18)17-23(28)25-14-21(19-6-4-8-24-13-19)27-9-11-29-12-10-27/h2-8,13,18,21H,9-12,14-17H2,1H3,(H,25,28).
What are the key properties of 2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide?
2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide has a molecular weight of 410.52 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 45233738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).