(2R)-2-methyl-9-(1-methylindol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C19H18N2O2 — CID 121278076

IUPAC(2R)-2-methyl-9-(1-methylindol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESC[C@@H]1CC(=O)Nc2cccc(-c3cc4ccccc4n3C)c2O1
InChIInChI=1S/C19H18N2O2/c1-12-10-18(22)20-15-8-5-7-14(19(15)23-12)17-11-13-6-3-4-9-16(13)21(17)2/h3-9,11-12H,10H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyBIAYTARZDIRZNR-GFCCVEGCSA-N
MW306.37 g/mol
LogP3.95
Rot. Bonds1

About (2R)-2-methyl-9-(1-methylindol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one

(2R)-2-methyl-9-(1-methylindol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 121278076) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2R)-2-methyl-9-(1-methylindol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name(2R)-2-methyl-9-(1-methylindol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID121278076
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(2R)-2-methyl-9-(1-methylindol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESC[C@@H]1CC(=O)Nc2cccc(-c3cc4ccccc4n3C)c2O1
InChIInChI=1S/C19H18N2O2/c1-12-10-18(22)20-15-8-5-7-14(19(15)23-12)17-11-13-6-3-4-9-16(13)21(17)2/h3-9,11-12H,10H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyBIAYTARZDIRZNR-GFCCVEGCSA-N
XLogP3.95
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9-ethyl-9H-carbazol-3-yl)-2-phenoxyacetamide
CID 1717907
N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxypropanamide
CID 4200910
N-(2-ethoxybenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 4429356
N-[(1,2-dimethylindol-5-yl)methyl]-2-phenoxyacetamide
CID 4606333
N-(9-ethyl-9H-carbazol-3-yl)-2-(4-methoxyphenoxy)acetamide
CID 3324655
2-(2,5-dimethylphenoxy)-N-(9-ethyl-9H-carbazol-3-yl)acetamide
CID 1808648
N-(9-ethyl-9H-carbazol-3-yl)-2-(4-methoxyphenoxy)propanamide
CID 2951670
N-[4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methylphenyl]acetamide
CID 3148797
N-(9-ethylcarbazol-3-yl)-2-phenoxypropanamide
CID 3579545
N-(2-ethoxybenzyl)-4-(1-methyl-1H-indol-3-yl)butanamide
CID 3606616
N-[2-(2-methyl-1H-indol-1-yl)ethyl]-2-phenoxypropanamide
CID 4047587
1-[(1-Benzyl-1H-indol-2-YL)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 16033123

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-9-(1-methylindol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of (2R)-2-methyl-9-(1-methylindol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 121278076) is (2R)-2-methyl-9-(1-methylindol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for (2R)-2-methyl-9-(1-methylindol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for (2R)-2-methyl-9-(1-methylindol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one is C[C@@H]1CC(=O)Nc2cccc(-c3cc4ccccc4n3C)c2O1.
What is the InChIKey of (2R)-2-methyl-9-(1-methylindol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is BIAYTARZDIRZNR-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-10-18(22)20-15-8-5-7-14(19(15)23-12)17-11-13-6-3-4-9-16(13)21(17)2/h3-9,11-12H,10H2,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-9-(1-methylindol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
(2R)-2-methyl-9-(1-methylindol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 306.37 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-9-(1-methylindol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 121278076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).