7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione

C16H22N2O3 — CID 114753375

IUPAC7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
SMILESCCCCCCC(O)c1ccc2c(c1)NC(=O)CC(=O)N2
InChIInChI=1S/C16H22N2O3/c1-2-3-4-5-6-14(19)11-7-8-12-13(9-11)18-16(21)10-15(20)17-12/h7-9,14,19H,2-6,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyDGWRKRAGYXGWLF-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.97
Rot. Bonds6

About 7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione

7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione (PubChem CID 114753375) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione.

Molecular Properties

Compound Name7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
PubChem CID114753375
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
SMILESCCCCCCC(O)c1ccc2c(c1)NC(=O)CC(=O)N2
InChIInChI=1S/C16H22N2O3/c1-2-3-4-5-6-14(19)11-7-8-12-13(9-11)18-16(21)10-15(20)17-12/h7-9,14,19H,2-6,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyDGWRKRAGYXGWLF-UHFFFAOYSA-N
XLogP2.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6-(1-hydroxyoctyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009925
5-(1-bromodecyl)-1,3-dihydroindol-2-one
CID 65428909
7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61082820
6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61089199
molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 176993371
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
5-(1-hydroxyhexyl)-1,3-dimethylbenzimidazol-2-one
CID 62300603
6-(1-hydroxydecyl)-3H-1,3-benzoxazol-2-one
CID 65426000
7-[furan-2-yl(hydroxy)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 61086743
6-(1-chlorooctyl)-4H-1,4-benzoxazin-3-one
CID 63436729
5-[2-ethyl-1-(methylamino)hexyl]-1,3-dihydroindol-2-one
CID 43484784
1-(1H-indol-5-yl)heptan-1-ol
CID 81444731

Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The IUPAC name of 7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione (CID 114753375) is 7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione.
What is the SMILES notation for 7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The canonical SMILES for 7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione is CCCCCCC(O)c1ccc2c(c1)NC(=O)CC(=O)N2.
What is the InChIKey of 7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The InChIKey is DGWRKRAGYXGWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-3-4-5-6-14(19)11-7-8-12-13(9-11)18-16(21)10-15(20)17-12/h7-9,14,19H,2-6,10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione has a molecular weight of 290.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione is sourced from PubChem (CID 114753375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).