1-(cyclopropylmethyl)-3,3-diethyl-4H-1,4-benzodiazepine-2,5-dione

C17H22N2O2 — CID 79906794

IUPAC1-(cyclopropylmethyl)-3,3-diethyl-4H-1,4-benzodiazepine-2,5-dione
SMILESCCC1(CC)NC(=O)c2ccccc2N(CC2CC2)C1=O
InChIInChI=1S/C17H22N2O2/c1-3-17(4-2)16(21)19(11-12-9-10-12)14-8-6-5-7-13(14)15(20)18-17/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyLFZKXSZRODVEQY-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.73
Rot. Bonds4

About 1-(cyclopropylmethyl)-3,3-diethyl-4H-1,4-benzodiazepine-2,5-dione

1-(cyclopropylmethyl)-3,3-diethyl-4H-1,4-benzodiazepine-2,5-dione (PubChem CID 79906794) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3,3-diethyl-4H-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3,3-diethyl-4H-1,4-benzodiazepine-2,5-dione
PubChem CID79906794
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-(cyclopropylmethyl)-3,3-diethyl-4H-1,4-benzodiazepine-2,5-dione
SMILESCCC1(CC)NC(=O)c2ccccc2N(CC2CC2)C1=O
InChIInChI=1S/C17H22N2O2/c1-3-17(4-2)16(21)19(11-12-9-10-12)14-8-6-5-7-13(14)15(20)18-17/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyLFZKXSZRODVEQY-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dibenzepin
CID 9419
Dibenzepin Hydrochloride
CID 443945
3-Benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 15649435
Bibn 140
CID 10030021
U 17660
CID 26008
4-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
CID 3725575
Cyclopeptine
CID 179574
2-(Acetylamino)benzamide
CID 118553
2-amino-N,N-diethylbenzamide
CID 10104045
Dehydrocyclopeptine
CID 15649436
5-((4-(4-(Diethylamino)butyl)-1-piperidinyl)acetyl)-10,11-dihydrobenzo(b,e)(1,4)diazepine-11-one
CID 372625
N-Cyclopropylmethyl-2-methyl-N'-(5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin 7-yl)-malonamide
CID 11257831

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3,3-diethyl-4H-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 1-(cyclopropylmethyl)-3,3-diethyl-4H-1,4-benzodiazepine-2,5-dione (CID 79906794) is 1-(cyclopropylmethyl)-3,3-diethyl-4H-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 1-(cyclopropylmethyl)-3,3-diethyl-4H-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 1-(cyclopropylmethyl)-3,3-diethyl-4H-1,4-benzodiazepine-2,5-dione is CCC1(CC)NC(=O)c2ccccc2N(CC2CC2)C1=O.
What is the InChIKey of 1-(cyclopropylmethyl)-3,3-diethyl-4H-1,4-benzodiazepine-2,5-dione?
The InChIKey is LFZKXSZRODVEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-17(4-2)16(21)19(11-12-9-10-12)14-8-6-5-7-13(14)15(20)18-17/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,20).
What are the key properties of 1-(cyclopropylmethyl)-3,3-diethyl-4H-1,4-benzodiazepine-2,5-dione?
1-(cyclopropylmethyl)-3,3-diethyl-4H-1,4-benzodiazepine-2,5-dione has a molecular weight of 286.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3,3-diethyl-4H-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 79906794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).