3-propan-2-yl-1-(2-propylphenyl)-1,4-diazepane-2,5-dione

C17H24N2O2 — CID 64966192

IUPAC3-propan-2-yl-1-(2-propylphenyl)-1,4-diazepane-2,5-dione
SMILESCCCc1ccccc1N1CCC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C17H24N2O2/c1-4-7-13-8-5-6-9-14(13)19-11-10-15(20)18-16(12(2)3)17(19)21/h5-6,8-9,12,16H,4,7,10-11H2,1-3H3,(H,18,20)
InChIKeyXFJRARAAFFPPIA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.52
Rot. Bonds4

About 3-propan-2-yl-1-(2-propylphenyl)-1,4-diazepane-2,5-dione

3-propan-2-yl-1-(2-propylphenyl)-1,4-diazepane-2,5-dione (PubChem CID 64966192) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-propan-2-yl-1-(2-propylphenyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-propan-2-yl-1-(2-propylphenyl)-1,4-diazepane-2,5-dione
PubChem CID64966192
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-propan-2-yl-1-(2-propylphenyl)-1,4-diazepane-2,5-dione
SMILESCCCc1ccccc1N1CCC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C17H24N2O2/c1-4-7-13-8-5-6-9-14(13)19-11-10-15(20)18-16(12(2)3)17(19)21/h5-6,8-9,12,16H,4,7,10-11H2,1-3H3,(H,18,20)
InChIKeyXFJRARAAFFPPIA-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4906
Prilocaine Hydrochloride
CID 92163
Etidocaine
CID 37497
Ro 4929097
CID 49867930
2-((2,6-Dimethylphenyl)amino)-N,N,N-triethyl-2-oxoethanaminium
CID 3925
Etidocaine Hydrochloride
CID 9796823
3-Benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 15649435
Pincainide
CID 71267
1,2,3,5-Tetrahydro-benzo(e)(1,4)diazepine-4-carboxylic acid tert-butyl ester
CID 2771826
4-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dione
CID 3725575
Libenzapril
CID 71320
Cyclopeptine
CID 179574

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(2-propylphenyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-propan-2-yl-1-(2-propylphenyl)-1,4-diazepane-2,5-dione (CID 64966192) is 3-propan-2-yl-1-(2-propylphenyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-propan-2-yl-1-(2-propylphenyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-propan-2-yl-1-(2-propylphenyl)-1,4-diazepane-2,5-dione is CCCc1ccccc1N1CCC(=O)NC(C(C)C)C1=O.
What is the InChIKey of 3-propan-2-yl-1-(2-propylphenyl)-1,4-diazepane-2,5-dione?
The InChIKey is XFJRARAAFFPPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-7-13-8-5-6-9-14(13)19-11-10-15(20)18-16(12(2)3)17(19)21/h5-6,8-9,12,16H,4,7,10-11H2,1-3H3,(H,18,20).
What are the key properties of 3-propan-2-yl-1-(2-propylphenyl)-1,4-diazepane-2,5-dione?
3-propan-2-yl-1-(2-propylphenyl)-1,4-diazepane-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(2-propylphenyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64966192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).