1-[2-(4-butoxyphenyl)ethyl]-1,3-diazinane-2,4-dione

C16H22N2O3 — CID 20833803

IUPAC1-[2-(4-butoxyphenyl)ethyl]-1,3-diazinane-2,4-dione
SMILESCCCCOc1ccc(CCN2CCC(=O)NC2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-2-3-12-21-14-6-4-13(5-7-14)8-10-18-11-9-15(19)17-16(18)20/h4-7H,2-3,8-12H2,1H3,(H,17,19,20)
InChIKeyASBZNEBJXIMZPC-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.35
Rot. Bonds7

About 1-[2-(4-butoxyphenyl)ethyl]-1,3-diazinane-2,4-dione

1-[2-(4-butoxyphenyl)ethyl]-1,3-diazinane-2,4-dione (PubChem CID 20833803) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[2-(4-butoxyphenyl)ethyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-butoxyphenyl)ethyl]-1,3-diazinane-2,4-dione
PubChem CID20833803
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[2-(4-butoxyphenyl)ethyl]-1,3-diazinane-2,4-dione
SMILESCCCCOc1ccc(CCN2CCC(=O)NC2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-2-3-12-21-14-6-4-13(5-7-14)8-10-18-11-9-15(19)17-16(18)20/h4-7H,2-3,8-12H2,1H3,(H,17,19,20)
InChIKeyASBZNEBJXIMZPC-UHFFFAOYSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-decyl-1,3-diazinane-2,4-dione
CID 77019056
5-[(4-butoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 3125290
5-oxo-1-[2-(4-propoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 22682329
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine
CID 112798089
4-[(4-butoxyphenyl)methyl]-1,4-thiazepan-5-one
CID 143233026
1-hexoxy-4-pentylbenzene
CID 54277450
1-[3-(4-hexadecoxyphenyl)propyl]-4-methylpiperazine
CID 170862537
1-nonoxy-4-propylbenzene
CID 118632119
5-ethyl-5-[(4-pentoxyphenyl)methyl]pyrrolidin-2-one
CID 104687527
3-(4-butoxyphenyl)propyl methanesulfonate
CID 19688447
1-[2-(4-propylphenoxy)ethyl]pyrrolidine
CID 54244276

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-butoxyphenyl)ethyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-(4-butoxyphenyl)ethyl]-1,3-diazinane-2,4-dione (CID 20833803) is 1-[2-(4-butoxyphenyl)ethyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-(4-butoxyphenyl)ethyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-(4-butoxyphenyl)ethyl]-1,3-diazinane-2,4-dione is CCCCOc1ccc(CCN2CCC(=O)NC2=O)cc1.
What is the InChIKey of 1-[2-(4-butoxyphenyl)ethyl]-1,3-diazinane-2,4-dione?
The InChIKey is ASBZNEBJXIMZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-3-12-21-14-6-4-13(5-7-14)8-10-18-11-9-15(19)17-16(18)20/h4-7H,2-3,8-12H2,1H3,(H,17,19,20).
What are the key properties of 1-[2-(4-butoxyphenyl)ethyl]-1,3-diazinane-2,4-dione?
1-[2-(4-butoxyphenyl)ethyl]-1,3-diazinane-2,4-dione has a molecular weight of 290.36 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butoxyphenyl)ethyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 20833803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).