5-[(4-methoxynaphthalen-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C18H18N2O4 — CID 171982462

IUPAC5-[(4-methoxynaphthalen-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc12
InChIInChI=1S/C18H18N2O4/c1-19-16(21)14(17(22)20(2)18(19)23)10-11-8-9-15(24-3)13-7-5-4-6-12(11)13/h4-9,14H,10H2,1-3H3
InChIKeyNUEMKMNRSJPARL-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.06
Rot. Bonds3

About 5-[(4-methoxynaphthalen-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[(4-methoxynaphthalen-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 171982462) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 5-[(4-methoxynaphthalen-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(4-methoxynaphthalen-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID171982462
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name5-[(4-methoxynaphthalen-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc12
InChIInChI=1S/C18H18N2O4/c1-19-16(21)14(17(22)20(2)18(19)23)10-11-8-9-15(24-3)13-7-5-4-6-12(11)13/h4-9,14H,10H2,1-3H3
InChIKeyNUEMKMNRSJPARL-UHFFFAOYSA-N
XLogP2.06
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 43912542
(3R)-1-ethyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 26367748
1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 43912762
1-methoxy-4-(methoxymethyl)naphthalene
CID 12777030
1-(4-methoxynaphthalen-1-yl)propan-2-one
CID 70461266
(3S)-5-bromo-3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
CID 51539659
1-[(4-methoxynaphthalen-1-yl)methyl]-4-propylpiperazine
CID 143922836
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-amine
CID 67702775
(5R)-1,3-dimethyl-5-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 131844513
(3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
CID 98160352
N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine
CID 78943425

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxynaphthalen-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(4-methoxynaphthalen-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 171982462) is 5-[(4-methoxynaphthalen-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(4-methoxynaphthalen-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(4-methoxynaphthalen-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is COc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc12.
What is the InChIKey of 5-[(4-methoxynaphthalen-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is NUEMKMNRSJPARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-19-16(21)14(17(22)20(2)18(19)23)10-11-8-9-15(24-3)13-7-5-4-6-12(11)13/h4-9,14H,10H2,1-3H3.
What are the key properties of 5-[(4-methoxynaphthalen-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[(4-methoxynaphthalen-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 326.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxynaphthalen-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 171982462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).