2-(1-methylindol-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)acetamide

C21H21N3O2 — CID 56824846

IUPAC2-(1-methylindol-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)acetamide
SMILESCn1cc(CC(=O)Nc2ccc3c(c2)CCCC(=O)N3)c2ccccc21
InChIInChI=1S/C21H21N3O2/c1-24-13-15(17-6-2-3-7-19(17)24)12-21(26)22-16-9-10-18-14(11-16)5-4-8-20(25)23-18/h2-3,6-7,9-11,13H,4-5,8,12H2,1H3,(H,22,26)(H,23,25)
InChIKeyNOZQSCXVHLKQCZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.63
Rot. Bonds3

About 2-(1-methylindol-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)acetamide

2-(1-methylindol-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)acetamide (PubChem CID 56824846) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)acetamide
PubChem CID56824846
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-(1-methylindol-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)acetamide
SMILESCn1cc(CC(=O)Nc2ccc3c(c2)CCCC(=O)N3)c2ccccc21
InChIInChI=1S/C21H21N3O2/c1-24-13-15(17-6-2-3-7-19(17)24)12-21(26)22-16-9-10-18-14(11-16)5-4-8-20(25)23-18/h2-3,6-7,9-11,13H,4-5,8,12H2,1H3,(H,22,26)(H,23,25)
InChIKeyNOZQSCXVHLKQCZ-UHFFFAOYSA-N
XLogP3.63
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-methylindol-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)acetamide with MolForge

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Related Compounds

4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide
CID 119318721
3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide
CID 47078833
7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide
CID 119775274
2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride
CID 120591738
(2S)-2-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide
CID 124546293
3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 12810798
2-(2-fluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 110777106
N-(3-acetylphenyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768505
2-(1-methylindol-3-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 71883645
N-(2-ethylphenyl)-2-(1-methylindol-3-yl)acetamide
CID 4523543
N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113083964
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenoxyacetamide
CID 18571268

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)acetamide (CID 56824846) is 2-(1-methylindol-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)acetamide is Cn1cc(CC(=O)Nc2ccc3c(c2)CCCC(=O)N3)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)acetamide?
The InChIKey is NOZQSCXVHLKQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-24-13-15(17-6-2-3-7-19(17)24)12-21(26)22-16-9-10-18-14(11-16)5-4-8-20(25)23-18/h2-3,6-7,9-11,13H,4-5,8,12H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 2-(1-methylindol-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)acetamide?
2-(1-methylindol-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)acetamide is sourced from PubChem (CID 56824846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).