N-cyclohexyl-8-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide;2-methoxyethanol

C22H31N3O4 — CID 172566509

IUPACN-cyclohexyl-8-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide;2-methoxyethanol
SMILESCOCCO.Cc1cc(C(=O)NC2CCCCC2)cc2c1OCCn1cncc1-2
InChIInChI=1S/C19H23N3O2.C3H8O2/c1-13-9-14(19(23)21-15-5-3-2-4-6-15)10-16-17-11-20-12-22(17)7-8-24-18(13)16;1-5-3-2-4/h9-12,15H,2-8H2,1H3,(H,21,23);4H,2-3H2,1H3
InChIKeyLVDHBJPYRNJTFS-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.94
Rot. Bonds4

About N-cyclohexyl-8-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide;2-methoxyethanol

N-cyclohexyl-8-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide;2-methoxyethanol (PubChem CID 172566509) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-cyclohexyl-8-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide;2-methoxyethanol.

Molecular Properties

Compound NameN-cyclohexyl-8-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide;2-methoxyethanol
PubChem CID172566509
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC NameN-cyclohexyl-8-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide;2-methoxyethanol
SMILESCOCCO.Cc1cc(C(=O)NC2CCCCC2)cc2c1OCCn1cncc1-2
InChIInChI=1S/C19H23N3O2.C3H8O2/c1-13-9-14(19(23)21-15-5-3-2-4-6-15)10-16-17-11-20-12-22(17)7-8-24-18(13)16;1-5-3-2-4/h9-12,15H,2-8H2,1H3,(H,21,23);4H,2-3H2,1H3
InChIKeyLVDHBJPYRNJTFS-UHFFFAOYSA-N
XLogP2.94
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-8-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide;2-methoxyethanol with MolForge

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Related Compounds

8-fluoro-N-[(1S,2R)-2-methylcyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide
CID 172566489
N-(4-methylsulfonylcyclohexyl)-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide
CID 172566337
N-[4-[[2-hydroxy-2-(trifluoromethyl)butyl]amino]cyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide
CID 172566335
N-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide
CID 172566384
N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777048
N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109250278
N-cyclohexyl-4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbenzamide
CID 51121339
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938
N-cyclohexyl-6-imidazol-1-ylpyridine-2-carboxamide;2-methoxyethanol;molecular hydrogen
CID 156885840
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-cycloheptyl-2-methoxypyrimidine-5-carboxamide
CID 51364566

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-8-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide;2-methoxyethanol?
The IUPAC name of N-cyclohexyl-8-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide;2-methoxyethanol (CID 172566509) is N-cyclohexyl-8-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide;2-methoxyethanol.
What is the SMILES notation for N-cyclohexyl-8-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide;2-methoxyethanol?
The canonical SMILES for N-cyclohexyl-8-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide;2-methoxyethanol is COCCO.Cc1cc(C(=O)NC2CCCCC2)cc2c1OCCn1cncc1-2.
What is the InChIKey of N-cyclohexyl-8-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide;2-methoxyethanol?
The InChIKey is LVDHBJPYRNJTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.C3H8O2/c1-13-9-14(19(23)21-15-5-3-2-4-6-15)10-16-17-11-20-12-22(17)7-8-24-18(13)16;1-5-3-2-4/h9-12,15H,2-8H2,1H3,(H,21,23);4H,2-3H2,1H3.
What are the key properties of N-cyclohexyl-8-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide;2-methoxyethanol?
N-cyclohexyl-8-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide;2-methoxyethanol has a molecular weight of 401.51 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-8-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide;2-methoxyethanol is sourced from PubChem (CID 172566509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).