[1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropyl] formate

C24H29NO2 — CID 87292716

IUPAC[1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropyl] formate
SMILESO=COC(CCc1ccccc1)c1ccc2c(c1)CCN(C1CCC1)CC2
InChIInChI=1S/C24H29NO2/c26-18-27-24(12-9-19-5-2-1-3-6-19)22-11-10-20-13-15-25(23-7-4-8-23)16-14-21(20)17-22/h1-3,5-6,10-11,17-18,23-24H,4,7-9,12-16H2
InChIKeyRMBPKAGGCVWHEK-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.49
Rot. Bonds7

About [1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropyl] formate

[1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropyl] formate (PubChem CID 87292716) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is [1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropyl] formate.

Molecular Properties

Compound Name[1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropyl] formate
PubChem CID87292716
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name[1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropyl] formate
SMILESO=COC(CCc1ccccc1)c1ccc2c(c1)CCN(C1CCC1)CC2
InChIInChI=1S/C24H29NO2/c26-18-27-24(12-9-19-5-2-1-3-6-19)22-11-10-20-13-15-25(23-7-4-8-23)16-14-21(20)17-22/h1-3,5-6,10-11,17-18,23-24H,4,7-9,12-16H2
InChIKeyRMBPKAGGCVWHEK-UHFFFAOYSA-N
XLogP4.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropan-1-one
CID 58277885
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine
CID 58277841
7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine
CID 58277899
2-benzyl-1-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperazin-1-yl]-3-methylbutan-1-one
CID 69448723
3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carbonitrile
CID 67160773
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylacetonitrilium
CID 90946663
3-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-cyclobutylpiperazin-1-yl)propanal
CID 174563734
1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 69183178
[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-pyridin-4-ylpropan-2-ol
CID 58277876
1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 66985098
1-cyclobutyl-4-[[4-(3-methylbutyl)phenyl]methylidene]piperidine
CID 71271203

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropyl] formate?
The IUPAC name of [1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropyl] formate (CID 87292716) is [1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropyl] formate.
What is the SMILES notation for [1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropyl] formate?
The canonical SMILES for [1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropyl] formate is O=COC(CCc1ccccc1)c1ccc2c(c1)CCN(C1CCC1)CC2.
What is the InChIKey of [1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropyl] formate?
The InChIKey is RMBPKAGGCVWHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c26-18-27-24(12-9-19-5-2-1-3-6-19)22-11-10-20-13-15-25(23-7-4-8-23)16-14-21(20)17-22/h1-3,5-6,10-11,17-18,23-24H,4,7-9,12-16H2.
What are the key properties of [1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropyl] formate?
[1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropyl] formate has a molecular weight of 363.50 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 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-phenylpropyl] formate is sourced from PubChem (CID 87292716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).