N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

C22H25N3O2 — CID 121339167

IUPACN-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
SMILESCc1cccn2c(C(C)(C)NC(=O)c3cccc4c3OCCNC4)ccc12
InChIInChI=1S/C22H25N3O2/c1-15-6-5-12-25-18(15)9-10-19(25)22(2,3)24-21(26)17-8-4-7-16-14-23-11-13-27-20(16)17/h4-10,12,23H,11,13-14H2,1-3H3,(H,24,26)
InChIKeyOSEUATSUWALRRX-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.39
Rot. Bonds3

About N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (PubChem CID 121339167) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide.

Molecular Properties

Compound NameN-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
PubChem CID121339167
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
SMILESCc1cccn2c(C(C)(C)NC(=O)c3cccc4c3OCCNC4)ccc12
InChIInChI=1S/C22H25N3O2/c1-15-6-5-12-25-18(15)9-10-19(25)22(2,3)24-21(26)17-8-4-7-16-14-23-11-13-27-20(16)17/h4-10,12,23H,11,13-14H2,1-3H3,(H,24,26)
InChIKeyOSEUATSUWALRRX-UHFFFAOYSA-N
XLogP3.39
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide 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

5-[2-[2-(2-Ethylphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)indole-7-carboxamide
CID 123387804
N-(2-ethoxybenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 4429356
N-[4-(5H-Pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)phenyl]-2-ethoxybenzamide
CID 21837089
(2Z)-2-(1H-indol-3-ylmethylidene)-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one
CID 60155783
5-Methyl-2-[(phenylmethyl)oxy]-N-3-pyridinylbenzamide
CID 67107177
4-(Pyridin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 71183285
7-[4-(Trifluoromethoxy)phenyl]-4-[[3-(trifluoromethyl)pyridin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 89350072
2-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911737
SR 33287
CID 65674
2-methoxy-N-[(1Z)-1-(1-methyl-1H-indol-3-yl)-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 1957379
N-[2-(1H-indol-1-yl)ethyl]-2-methoxybenzamide
CID 3240503
(2Z)-3-[1-(Dimethylsulfamoyl)-1H-indol-3-YL]-2-[(2-methoxyphenyl)formamido]-N-[3-(morpholin-4-YL)propyl]prop-2-enamide
CID 5876027

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
The IUPAC name of N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (CID 121339167) is N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide.
What is the SMILES notation for N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
The canonical SMILES for N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is Cc1cccn2c(C(C)(C)NC(=O)c3cccc4c3OCCNC4)ccc12.
What is the InChIKey of N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
The InChIKey is OSEUATSUWALRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-6-5-12-25-18(15)9-10-19(25)22(2,3)24-21(26)17-8-4-7-16-14-23-11-13-27-20(16)17/h4-10,12,23H,11,13-14H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is sourced from PubChem (CID 121339167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).