1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropan-1-one

C23H27NO — CID 58277885

IUPAC1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccc2c(c1)CCN(C1CCC1)CC2
InChIInChI=1S/C23H27NO/c25-23(12-9-18-5-2-1-3-6-18)21-11-10-19-13-15-24(22-7-4-8-22)16-14-20(19)17-21/h1-3,5-6,10-11,17,22H,4,7-9,12-16H2
InChIKeyUVOXOAGRBRBRBY-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.46
Rot. Bonds5

About 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropan-1-one

1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropan-1-one (PubChem CID 58277885) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropan-1-one
PubChem CID58277885
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccc2c(c1)CCN(C1CCC1)CC2
InChIInChI=1S/C23H27NO/c25-23(12-9-18-5-2-1-3-6-18)21-11-10-19-13-15-24(22-7-4-8-22)16-14-20(19)17-21/h1-3,5-6,10-11,17,22H,4,7-9,12-16H2
InChIKeyUVOXOAGRBRBRBY-UHFFFAOYSA-N
XLogP4.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 11538325
[1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropyl] formate
CID 87292716
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
N-butyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 67547921
1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-piperidin-1-ylpropan-1-one;dihydrochloride
CID 19375517
3-cyclobutyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 67161575
1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(1-methylpiperidin-4-yl)propan-1-one;dihydrochloride
CID 18620857
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine
CID 58277841
3-cyclobutyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 67161977
2-(1-benzylpiperidin-4-yl)-1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanone;dihydrochloride
CID 70026664
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
[4-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 68502756

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropan-1-one (CID 58277885) is 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropan-1-one is O=C(CCc1ccccc1)c1ccc2c(c1)CCN(C1CCC1)CC2.
What is the InChIKey of 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropan-1-one?
The InChIKey is UVOXOAGRBRBRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c25-23(12-9-18-5-2-1-3-6-18)21-11-10-19-13-15-24(22-7-4-8-22)16-14-20(19)17-21/h1-3,5-6,10-11,17,22H,4,7-9,12-16H2.
What are the key properties of 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropan-1-one?
1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropan-1-one has a molecular weight of 333.48 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 58277885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).