2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone

C20H28N2O2 — CID 58277805

IUPAC2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone
SMILESO=C(Cc1ccc2c(c1)CCN(C1CCC1)CC2)N1CCOCC1
InChIInChI=1S/C20H28N2O2/c23-20(22-10-12-24-13-11-22)15-16-4-5-17-6-8-21(19-2-1-3-19)9-7-18(17)14-16/h4-5,14,19H,1-3,6-13,15H2
InChIKeyWZTQVFXCOHHDOJ-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.04
Rot. Bonds3

About 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone

2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone (PubChem CID 58277805) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone
PubChem CID58277805
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone
SMILESO=C(Cc1ccc2c(c1)CCN(C1CCC1)CC2)N1CCOCC1
InChIInChI=1S/C20H28N2O2/c23-20(22-10-12-24-13-11-22)15-16-4-5-17-6-8-21(19-2-1-3-19)9-7-18(17)14-16/h4-5,14,19H,1-3,6-13,15H2
InChIKeyWZTQVFXCOHHDOJ-UHFFFAOYSA-N
XLogP2.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[3-(cyclobutadienyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1-morpholin-4-ylethanone
CID 67162084
[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 11538325
1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82132544
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(2-methylpyrazol-3-yl)acetamide
CID 46834793
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110806562
2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178784
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124959970
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine
CID 58277841
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81208855
1-(4-methylsulfonylpiperazin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 51252178
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone (CID 58277805) is 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone is O=C(Cc1ccc2c(c1)CCN(C1CCC1)CC2)N1CCOCC1.
What is the InChIKey of 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone?
The InChIKey is WZTQVFXCOHHDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-20(22-10-12-24-13-11-22)15-16-4-5-17-6-8-21(19-2-1-3-19)9-7-18(17)14-16/h4-5,14,19H,1-3,6-13,15H2.
What are the key properties of 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone?
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone has a molecular weight of 328.46 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 58277805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).