5-cycloheptyl-1-(2-cyclopentyl-2-oxoethyl)-1,3,5-benzotriazepine-2,4-dione

C22H29N3O3 — CID 69445707

IUPAC5-cycloheptyl-1-(2-cyclopentyl-2-oxoethyl)-1,3,5-benzotriazepine-2,4-dione
SMILESO=C(CN1C(=O)NC(=O)N(C2CCCCCC2)c2ccccc21)C1CCCC1
InChIInChI=1S/C22H29N3O3/c26-20(16-9-5-6-10-16)15-24-18-13-7-8-14-19(18)25(22(28)23-21(24)27)17-11-3-1-2-4-12-17/h7-8,13-14,16-17H,1-6,9-12,15H2,(H,23,27,28)
InChIKeyWISICRYHENXXOQ-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.62
Rot. Bonds4

About 5-cycloheptyl-1-(2-cyclopentyl-2-oxoethyl)-1,3,5-benzotriazepine-2,4-dione

5-cycloheptyl-1-(2-cyclopentyl-2-oxoethyl)-1,3,5-benzotriazepine-2,4-dione (PubChem CID 69445707) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 5-cycloheptyl-1-(2-cyclopentyl-2-oxoethyl)-1,3,5-benzotriazepine-2,4-dione.

Molecular Properties

Compound Name5-cycloheptyl-1-(2-cyclopentyl-2-oxoethyl)-1,3,5-benzotriazepine-2,4-dione
PubChem CID69445707
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name5-cycloheptyl-1-(2-cyclopentyl-2-oxoethyl)-1,3,5-benzotriazepine-2,4-dione
SMILESO=C(CN1C(=O)NC(=O)N(C2CCCCCC2)c2ccccc21)C1CCCC1
InChIInChI=1S/C22H29N3O3/c26-20(16-9-5-6-10-16)15-24-18-13-7-8-14-19(18)25(22(28)23-21(24)27)17-11-3-1-2-4-12-17/h7-8,13-14,16-17H,1-6,9-12,15H2,(H,23,27,28)
InChIKeyWISICRYHENXXOQ-UHFFFAOYSA-N
XLogP4.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-1-(2-cyclopentyl-2-oxoethyl)-1,3,5-benzotriazepine-2,4-dione?
The IUPAC name of 5-cycloheptyl-1-(2-cyclopentyl-2-oxoethyl)-1,3,5-benzotriazepine-2,4-dione (CID 69445707) is 5-cycloheptyl-1-(2-cyclopentyl-2-oxoethyl)-1,3,5-benzotriazepine-2,4-dione.
What is the SMILES notation for 5-cycloheptyl-1-(2-cyclopentyl-2-oxoethyl)-1,3,5-benzotriazepine-2,4-dione?
The canonical SMILES for 5-cycloheptyl-1-(2-cyclopentyl-2-oxoethyl)-1,3,5-benzotriazepine-2,4-dione is O=C(CN1C(=O)NC(=O)N(C2CCCCCC2)c2ccccc21)C1CCCC1.
What is the InChIKey of 5-cycloheptyl-1-(2-cyclopentyl-2-oxoethyl)-1,3,5-benzotriazepine-2,4-dione?
The InChIKey is WISICRYHENXXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c26-20(16-9-5-6-10-16)15-24-18-13-7-8-14-19(18)25(22(28)23-21(24)27)17-11-3-1-2-4-12-17/h7-8,13-14,16-17H,1-6,9-12,15H2,(H,23,27,28).
What are the key properties of 5-cycloheptyl-1-(2-cyclopentyl-2-oxoethyl)-1,3,5-benzotriazepine-2,4-dione?
5-cycloheptyl-1-(2-cyclopentyl-2-oxoethyl)-1,3,5-benzotriazepine-2,4-dione has a molecular weight of 383.49 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-1-(2-cyclopentyl-2-oxoethyl)-1,3,5-benzotriazepine-2,4-dione is sourced from PubChem (CID 69445707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).