ethane;1-[2-[methyl-(methylideneamino)amino]-4-propan-2-ylphenyl]-1,3-diazinane-2,4-dione

C17H26N4O2 — CID 177048685

IUPACethane;1-[2-[methyl-(methylideneamino)amino]-4-propan-2-ylphenyl]-1,3-diazinane-2,4-dione
SMILESC=NN(C)c1cc(C(C)C)ccc1N1CCC(=O)NC1=O.CC
InChIInChI=1S/C15H20N4O2.C2H6/c1-10(2)11-5-6-12(13(9-11)18(4)16-3)19-8-7-14(20)17-15(19)21;1-2/h5-6,9-10H,3,7-8H2,1-2,4H3,(H,17,20,21);1-2H3
InChIKeyXJYLXNFSWCUHKE-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.33
Rot. Bonds4

About ethane;1-[2-[methyl-(methylideneamino)amino]-4-propan-2-ylphenyl]-1,3-diazinane-2,4-dione

ethane;1-[2-[methyl-(methylideneamino)amino]-4-propan-2-ylphenyl]-1,3-diazinane-2,4-dione (PubChem CID 177048685) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is ethane;1-[2-[methyl-(methylideneamino)amino]-4-propan-2-ylphenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Nameethane;1-[2-[methyl-(methylideneamino)amino]-4-propan-2-ylphenyl]-1,3-diazinane-2,4-dione
PubChem CID177048685
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Nameethane;1-[2-[methyl-(methylideneamino)amino]-4-propan-2-ylphenyl]-1,3-diazinane-2,4-dione
SMILESC=NN(C)c1cc(C(C)C)ccc1N1CCC(=O)NC1=O.CC
InChIInChI=1S/C15H20N4O2.C2H6/c1-10(2)11-5-6-12(13(9-11)18(4)16-3)19-8-7-14(20)17-15(19)21;1-2/h5-6,9-10H,3,7-8H2,1-2,4H3,(H,17,20,21);1-2H3
InChIKeyXJYLXNFSWCUHKE-UHFFFAOYSA-N
XLogP3.33
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione
CID 167282782
1-[4-(4-propan-2-ylphenyl)phenyl]-1,3-diazinane-2,4-dione
CID 167923462
1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione
CID 176558358
1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione
CID 170954148
ethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione
CID 167474708
1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione
CID 177356043
1-(7-propan-2-yl-3H-benzimidazol-4-yl)-1,3-diazinane-2,4-dione
CID 167282385
1-[2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-1,3-diazinane-2,4-dione
CID 167775992
1-[2-methyl-4-(4-propan-2-yloxyphenyl)phenyl]-1,3-diazinane-2,4-dione
CID 167860720
1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione
CID 156707562
1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride
CID 171705611
1-(5-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione
CID 79777830

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-[methyl-(methylideneamino)amino]-4-propan-2-ylphenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of ethane;1-[2-[methyl-(methylideneamino)amino]-4-propan-2-ylphenyl]-1,3-diazinane-2,4-dione (CID 177048685) is ethane;1-[2-[methyl-(methylideneamino)amino]-4-propan-2-ylphenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for ethane;1-[2-[methyl-(methylideneamino)amino]-4-propan-2-ylphenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for ethane;1-[2-[methyl-(methylideneamino)amino]-4-propan-2-ylphenyl]-1,3-diazinane-2,4-dione is C=NN(C)c1cc(C(C)C)ccc1N1CCC(=O)NC1=O.CC.
What is the InChIKey of ethane;1-[2-[methyl-(methylideneamino)amino]-4-propan-2-ylphenyl]-1,3-diazinane-2,4-dione?
The InChIKey is XJYLXNFSWCUHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2.C2H6/c1-10(2)11-5-6-12(13(9-11)18(4)16-3)19-8-7-14(20)17-15(19)21;1-2/h5-6,9-10H,3,7-8H2,1-2,4H3,(H,17,20,21);1-2H3.
What are the key properties of ethane;1-[2-[methyl-(methylideneamino)amino]-4-propan-2-ylphenyl]-1,3-diazinane-2,4-dione?
ethane;1-[2-[methyl-(methylideneamino)amino]-4-propan-2-ylphenyl]-1,3-diazinane-2,4-dione has a molecular weight of 318.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-[methyl-(methylideneamino)amino]-4-propan-2-ylphenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177048685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).