1-(methylamino)-6-methylidene-3-[(2-propan-2-ylphenyl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4-dione

C18H24N4O2 — CID 137482006

IUPAC1-(methylamino)-6-methylidene-3-[(2-propan-2-ylphenyl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4-dione
SMILESC=CCN1C(=C)N(NC)C(=O)N(Cc2ccccc2C(C)C)C1=O
InChIInChI=1S/C18H24N4O2/c1-6-11-20-14(4)22(19-5)18(24)21(17(20)23)12-15-9-7-8-10-16(15)13(2)3/h6-10,13,19H,1,4,11-12H2,2-3,5H3
InChIKeyZPBUHQPETHDVEQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.26
Rot. Bonds6

About 1-(methylamino)-6-methylidene-3-[(2-propan-2-ylphenyl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4-dione

1-(methylamino)-6-methylidene-3-[(2-propan-2-ylphenyl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4-dione (PubChem CID 137482006) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(methylamino)-6-methylidene-3-[(2-propan-2-ylphenyl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1-(methylamino)-6-methylidene-3-[(2-propan-2-ylphenyl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4-dione
PubChem CID137482006
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-(methylamino)-6-methylidene-3-[(2-propan-2-ylphenyl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4-dione
SMILESC=CCN1C(=C)N(NC)C(=O)N(Cc2ccccc2C(C)C)C1=O
InChIInChI=1S/C18H24N4O2/c1-6-11-20-14(4)22(19-5)18(24)21(17(20)23)12-15-9-7-8-10-16(15)13(2)3/h6-10,13,19H,1,4,11-12H2,2-3,5H3
InChIKeyZPBUHQPETHDVEQ-UHFFFAOYSA-N
XLogP3.26
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine
CID 177247543
1-[(2-propan-2-ylphenyl)methyl]piperidin-4-one
CID 58774771
3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione
CID 143077874
1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione
CID 15620660
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807257
(2-propan-2-ylphenyl)methyl N-methylcarbamate
CID 19987801
N-[(2-propan-2-ylphenyl)methyl]methanesulfonamide
CID 3329133
CID 173166794
CID 173166794
1,3-bis(2-propan-2-ylphenyl)propan-2-one
CID 21115419
1-benzyl-2-propan-2-ylbenzene
CID 13215617
N-methoxy-1-(2-propan-2-ylphenyl)methanamine
CID 82600286

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-6-methylidene-3-[(2-propan-2-ylphenyl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1-(methylamino)-6-methylidene-3-[(2-propan-2-ylphenyl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4-dione (CID 137482006) is 1-(methylamino)-6-methylidene-3-[(2-propan-2-ylphenyl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1-(methylamino)-6-methylidene-3-[(2-propan-2-ylphenyl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1-(methylamino)-6-methylidene-3-[(2-propan-2-ylphenyl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4-dione is C=CCN1C(=C)N(NC)C(=O)N(Cc2ccccc2C(C)C)C1=O.
What is the InChIKey of 1-(methylamino)-6-methylidene-3-[(2-propan-2-ylphenyl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4-dione?
The InChIKey is ZPBUHQPETHDVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-6-11-20-14(4)22(19-5)18(24)21(17(20)23)12-15-9-7-8-10-16(15)13(2)3/h6-10,13,19H,1,4,11-12H2,2-3,5H3.
What are the key properties of 1-(methylamino)-6-methylidene-3-[(2-propan-2-ylphenyl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4-dione?
1-(methylamino)-6-methylidene-3-[(2-propan-2-ylphenyl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4-dione has a molecular weight of 328.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-6-methylidene-3-[(2-propan-2-ylphenyl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 137482006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).