1-tert-butyl-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,2,4-triazolidine-3,5-dione

C22H28N4O4 — CID 11464077

IUPAC1-tert-butyl-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,2,4-triazolidine-3,5-dione
SMILESCC(C)(C)n1c(=O)[nH]c(=O)n1-c1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C22H28N4O4/c1-22(2,3)26-21(28)23-20(27)25(26)18-8-9-19(17-7-5-4-6-16(17)18)30-15-12-24-10-13-29-14-11-24/h4-9H,10-15H2,1-3H3,(H,23,27,28)
InChIKeyMRMXOAXBOOVIPO-UHFFFAOYSA-N
MW412.49 g/mol
LogP1.95
Rot. Bonds5

About 1-tert-butyl-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,2,4-triazolidine-3,5-dione

1-tert-butyl-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,2,4-triazolidine-3,5-dione (PubChem CID 11464077) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-tert-butyl-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1-tert-butyl-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,2,4-triazolidine-3,5-dione
PubChem CID11464077
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name1-tert-butyl-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,2,4-triazolidine-3,5-dione
SMILESCC(C)(C)n1c(=O)[nH]c(=O)n1-c1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C22H28N4O4/c1-22(2,3)26-21(28)23-20(27)25(26)18-8-9-19(17-7-5-4-6-16(17)18)30-15-12-24-10-13-29-14-11-24/h4-9H,10-15H2,1-3H3,(H,23,27,28)
InChIKeyMRMXOAXBOOVIPO-UHFFFAOYSA-N
XLogP1.95
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-tert-butyl-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,2,4-triazolidine-3,5-dione with MolForge

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Related Compounds

4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
2,2-difluoro-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetic acid
CID 59379811
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
CID 58262575
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate
CID 143015562
4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine
CID 11991204
2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one
CID 20645387
4-(2-morpholin-4-ylethoxy)chromen-2-one
CID 171354921
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
5-tert-butyl-N-methyl-3-[[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]-1H-pyrrole-2-carboxamide
CID 18406650
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]acetamide
CID 67091339
N-(2-tert-butylphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 58262613
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1-tert-butyl-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,2,4-triazolidine-3,5-dione (CID 11464077) is 1-tert-butyl-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1-tert-butyl-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1-tert-butyl-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,2,4-triazolidine-3,5-dione is CC(C)(C)n1c(=O)[nH]c(=O)n1-c1ccc(OCCN2CCOCC2)c2ccccc12.
What is the InChIKey of 1-tert-butyl-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is MRMXOAXBOOVIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-22(2,3)26-21(28)23-20(27)25(26)18-8-9-19(17-7-5-4-6-16(17)18)30-15-12-24-10-13-29-14-11-24/h4-9H,10-15H2,1-3H3,(H,23,27,28).
What are the key properties of 1-tert-butyl-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,2,4-triazolidine-3,5-dione?
1-tert-butyl-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 412.49 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 11464077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).