1-[2-methyl-4-(4-propan-2-yloxyphenyl)phenyl]-1,3-diazinane-2,4-dione

C20H22N2O3 — CID 167860720

IUPAC1-[2-methyl-4-(4-propan-2-yloxyphenyl)phenyl]-1,3-diazinane-2,4-dione
SMILESCc1cc(-c2ccc(OC(C)C)cc2)ccc1N1CCC(=O)NC1=O
InChIInChI=1S/C20H22N2O3/c1-13(2)25-17-7-4-15(5-8-17)16-6-9-18(14(3)12-16)22-11-10-19(23)21-20(22)24/h4-9,12-13H,10-11H2,1-3H3,(H,21,23,24)
InChIKeyZZTJBAOIEGSWGZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.90
Rot. Bonds4

About 1-[2-methyl-4-(4-propan-2-yloxyphenyl)phenyl]-1,3-diazinane-2,4-dione

1-[2-methyl-4-(4-propan-2-yloxyphenyl)phenyl]-1,3-diazinane-2,4-dione (PubChem CID 167860720) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[2-methyl-4-(4-propan-2-yloxyphenyl)phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-methyl-4-(4-propan-2-yloxyphenyl)phenyl]-1,3-diazinane-2,4-dione
PubChem CID167860720
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-[2-methyl-4-(4-propan-2-yloxyphenyl)phenyl]-1,3-diazinane-2,4-dione
SMILESCc1cc(-c2ccc(OC(C)C)cc2)ccc1N1CCC(=O)NC1=O
InChIInChI=1S/C20H22N2O3/c1-13(2)25-17-7-4-15(5-8-17)16-6-9-18(14(3)12-16)22-11-10-19(23)21-20(22)24/h4-9,12-13H,10-11H2,1-3H3,(H,21,23,24)
InChIKeyZZTJBAOIEGSWGZ-UHFFFAOYSA-N
XLogP3.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione
CID 167826358
1-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 79778090
1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione
CID 167282782
3,3-dimethyl-1-(4-propan-2-yloxyphenyl)-1,4-diazepane-2,5-dione
CID 64959951
1-(5-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione
CID 79777830
1-[4-(4-propan-2-ylphenyl)phenyl]-1,3-diazinane-2,4-dione
CID 167923462
5-(2,4-dioxo-1,3-diazinan-1-yl)-2-fluoro-4-methylbenzaldehyde;methanol
CID 156707032
1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione
CID 176558358
ethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione
CID 167474708
1-[2-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)phenyl]-1,3-diazinane-2,4-dione
CID 167913987
N,N-dimethylethanamine;2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetaldehyde
CID 172604910
3-cyclopropyl-1-(4-methoxy-2-methylphenyl)-1,4-diazepane-2,5-dione
CID 64970134

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(4-propan-2-yloxyphenyl)phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-methyl-4-(4-propan-2-yloxyphenyl)phenyl]-1,3-diazinane-2,4-dione (CID 167860720) is 1-[2-methyl-4-(4-propan-2-yloxyphenyl)phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-methyl-4-(4-propan-2-yloxyphenyl)phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-methyl-4-(4-propan-2-yloxyphenyl)phenyl]-1,3-diazinane-2,4-dione is Cc1cc(-c2ccc(OC(C)C)cc2)ccc1N1CCC(=O)NC1=O.
What is the InChIKey of 1-[2-methyl-4-(4-propan-2-yloxyphenyl)phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is ZZTJBAOIEGSWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13(2)25-17-7-4-15(5-8-17)16-6-9-18(14(3)12-16)22-11-10-19(23)21-20(22)24/h4-9,12-13H,10-11H2,1-3H3,(H,21,23,24).
What are the key properties of 1-[2-methyl-4-(4-propan-2-yloxyphenyl)phenyl]-1,3-diazinane-2,4-dione?
1-[2-methyl-4-(4-propan-2-yloxyphenyl)phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 338.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(4-propan-2-yloxyphenyl)phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167860720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).