1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(1,5-dimethyltriazol-4-yl)urea

C15H28N6O2 — CID 128796221

IUPAC1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(1,5-dimethyltriazol-4-yl)urea
SMILESCc1c(NC(=O)NCC(C)(C)N2CC(C)OC(C)C2)nnn1C
InChIInChI=1S/C15H28N6O2/c1-10-7-21(8-11(2)23-10)15(4,5)9-16-14(22)17-13-12(3)20(6)19-18-13/h10-11H,7-9H2,1-6H3,(H2,16,17,22)
InChIKeyOXPZLJAEKAQVKM-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.13
Rot. Bonds4

About 1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(1,5-dimethyltriazol-4-yl)urea

1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(1,5-dimethyltriazol-4-yl)urea (PubChem CID 128796221) has the molecular formula C15H28N6O2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(1,5-dimethyltriazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(1,5-dimethyltriazol-4-yl)urea
PubChem CID128796221
Molecular FormulaC15H28N6O2
Molecular Weight324.43 g/mol
Exact Mass324.23
IUPAC Name1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(1,5-dimethyltriazol-4-yl)urea
SMILESCc1c(NC(=O)NCC(C)(C)N2CC(C)OC(C)C2)nnn1C
InChIInChI=1S/C15H28N6O2/c1-10-7-21(8-11(2)23-10)15(4,5)9-16-14(22)17-13-12(3)20(6)19-18-13/h10-11H,7-9H2,1-6H3,(H2,16,17,22)
InChIKeyOXPZLJAEKAQVKM-UHFFFAOYSA-N
XLogP1.13
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 29303037
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 17435653
2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylpropanamide
CID 119839528
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 47019977
2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylpropanamide;dihydrochloride
CID 119839527
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 29303331
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 47019999
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide
CID 29294243
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 51654985
(2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide
CID 119839592
2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-phenylpropanamide
CID 120595010
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide
CID 29299383

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(1,5-dimethyltriazol-4-yl)urea?
The IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(1,5-dimethyltriazol-4-yl)urea (CID 128796221) is 1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(1,5-dimethyltriazol-4-yl)urea.
What is the SMILES notation for 1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(1,5-dimethyltriazol-4-yl)urea?
The canonical SMILES for 1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(1,5-dimethyltriazol-4-yl)urea is Cc1c(NC(=O)NCC(C)(C)N2CC(C)OC(C)C2)nnn1C.
What is the InChIKey of 1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(1,5-dimethyltriazol-4-yl)urea?
The InChIKey is OXPZLJAEKAQVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O2/c1-10-7-21(8-11(2)23-10)15(4,5)9-16-14(22)17-13-12(3)20(6)19-18-13/h10-11H,7-9H2,1-6H3,(H2,16,17,22).
What are the key properties of 1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(1,5-dimethyltriazol-4-yl)urea?
1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(1,5-dimethyltriazol-4-yl)urea has a molecular weight of 324.43 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(1,5-dimethyltriazol-4-yl)urea is sourced from PubChem (CID 128796221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).