N-[2-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide

C23H27N3O2 — CID 45165586

IUPACN-[2-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCc1ccc2c(c1)CN(CCNC(=O)Cc1c[nH]c3ccccc13)CC(C)O2
InChIInChI=1S/C23H27N3O2/c1-16-7-8-22-19(11-16)15-26(14-17(2)28-22)10-9-24-23(27)12-18-13-25-21-6-4-3-5-20(18)21/h3-8,11,13,17,25H,9-10,12,14-15H2,1-2H3,(H,24,27)
InChIKeyUUSNLVFMOILFFA-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.42
Rot. Bonds5

About N-[2-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide

N-[2-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 45165586) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[2-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID45165586
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[2-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCc1ccc2c(c1)CN(CCNC(=O)Cc1c[nH]c3ccccc13)CC(C)O2
InChIInChI=1S/C23H27N3O2/c1-16-7-8-22-19(11-16)15-26(14-17(2)28-22)10-9-24-23(27)12-18-13-25-21-6-4-3-5-20(18)21/h3-8,11,13,17,25H,9-10,12,14-15H2,1-2H3,(H,24,27)
InChIKeyUUSNLVFMOILFFA-UHFFFAOYSA-N
XLogP3.42
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide
CID 42397929
N-[3-(benzotriazol-1-yl)propyl]-3-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanamide
CID 126467289
N-[2-(7-chloro-3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 91632335
2-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
CID 45244558
2-(1H-indol-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 55602446
N-[(1-benzylpyrazol-4-yl)methyl]-2-[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide
CID 26317007
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide
CID 113068854
3-[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(3S)-oxolan-3-yl]propanamide
CID 124749610
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 47026499
N-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)-1H-indol-3-yl]acetamide
CID 90754095
2-(1H-indol-3-yl)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110743638
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 18117801

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide (CID 45165586) is N-[2-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide is Cc1ccc2c(c1)CN(CCNC(=O)Cc1c[nH]c3ccccc13)CC(C)O2.
What is the InChIKey of N-[2-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is UUSNLVFMOILFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-7-8-22-19(11-16)15-26(14-17(2)28-22)10-9-24-23(27)12-18-13-25-21-6-4-3-5-20(18)21/h3-8,11,13,17,25H,9-10,12,14-15H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide?
N-[2-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 377.49 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 45165586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).