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

C17H22N2O2 — CID 64960791

IUPAC3-cyclopropyl-1-(4-propylphenyl)-1,4-diazepane-2,5-dione
SMILESCCCc1ccc(N2CCC(=O)NC(C3CC3)C2=O)cc1
InChIInChI=1S/C17H22N2O2/c1-2-3-12-4-8-14(9-5-12)19-11-10-15(20)18-16(17(19)21)13-6-7-13/h4-5,8-9,13,16H,2-3,6-7,10-11H2,1H3,(H,18,20)
InChIKeyBTTNLYBXIYAVCE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.27
Rot. Bonds4

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

3-cyclopropyl-1-(4-propylphenyl)-1,4-diazepane-2,5-dione (PubChem CID 64960791) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-propylphenyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-propylphenyl)-1,4-diazepane-2,5-dione
PubChem CID64960791
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-cyclopropyl-1-(4-propylphenyl)-1,4-diazepane-2,5-dione
SMILESCCCc1ccc(N2CCC(=O)NC(C3CC3)C2=O)cc1
InChIInChI=1S/C17H22N2O2/c1-2-3-12-4-8-14(9-5-12)19-11-10-15(20)18-16(17(19)21)13-6-7-13/h4-5,8-9,13,16H,2-3,6-7,10-11H2,1H3,(H,18,20)
InChIKeyBTTNLYBXIYAVCE-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 64962398
3-cyclopropyl-1-phenyl-1,4-diazepane-2,5-dione
CID 64958816
1-(3-chloro-4-methylphenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 64961674
3-cyclopropyl-1-(3-iodophenyl)-1,4-diazepane-2,5-dione
CID 64962833
benzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene
CID 170633594
1-[2-(4-chlorophenyl)ethyl]-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 64964547
1-(4-propylphenyl)imidazolidine-2,4-dione
CID 79777361
3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane-2,5-dione
CID 64882286
1-(3-bromo-2-methylphenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 107640139
1-(4-butylphenyl)-2-sulfanylidene-1,3-diazinan-4-one
CID 76943148
3-cyclopropyl-1-(4-methoxy-2-methylphenyl)-1,4-diazepane-2,5-dione
CID 64970134
3-cyclopropyl-1-[(2-ethylphenyl)methyl]-1,4-diazepane-2,5-dione
CID 64973634

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4-propylphenyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(4-propylphenyl)-1,4-diazepane-2,5-dione (CID 64960791) is 3-cyclopropyl-1-(4-propylphenyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(4-propylphenyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(4-propylphenyl)-1,4-diazepane-2,5-dione is CCCc1ccc(N2CCC(=O)NC(C3CC3)C2=O)cc1.
What is the InChIKey of 3-cyclopropyl-1-(4-propylphenyl)-1,4-diazepane-2,5-dione?
The InChIKey is BTTNLYBXIYAVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-3-12-4-8-14(9-5-12)19-11-10-15(20)18-16(17(19)21)13-6-7-13/h4-5,8-9,13,16H,2-3,6-7,10-11H2,1H3,(H,18,20).
What are the key properties of 3-cyclopropyl-1-(4-propylphenyl)-1,4-diazepane-2,5-dione?
3-cyclopropyl-1-(4-propylphenyl)-1,4-diazepane-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-propylphenyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64960791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).