1-[3-(dimethylamino)cyclohexyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea

C17H34N4O2 — CID 71861946

IUPAC1-[3-(dimethylamino)cyclohexyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea
SMILESCC(CNC(=O)NC1CCCC(N(C)C)C1)N1CCOCC1C
InChIInChI=1S/C17H34N4O2/c1-13(21-8-9-23-12-14(21)2)11-18-17(22)19-15-6-5-7-16(10-15)20(3)4/h13-16H,5-12H2,1-4H3,(H2,18,19,22)
InChIKeyOOJSZCNCMDSDBU-UHFFFAOYSA-N
MW326.49 g/mol
LogP1.27
Rot. Bonds5

About 1-[3-(dimethylamino)cyclohexyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea

1-[3-(dimethylamino)cyclohexyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea (PubChem CID 71861946) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 1-[3-(dimethylamino)cyclohexyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)cyclohexyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea
PubChem CID71861946
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name1-[3-(dimethylamino)cyclohexyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea
SMILESCC(CNC(=O)NC1CCCC(N(C)C)C1)N1CCOCC1C
InChIInChI=1S/C17H34N4O2/c1-13(21-8-9-23-12-14(21)2)11-18-17(22)19-15-6-5-7-16(10-15)20(3)4/h13-16H,5-12H2,1-4H3,(H2,18,19,22)
InChIKeyOOJSZCNCMDSDBU-UHFFFAOYSA-N
XLogP1.27
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)cyclohexyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea?
The IUPAC name of 1-[3-(dimethylamino)cyclohexyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea (CID 71861946) is 1-[3-(dimethylamino)cyclohexyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea.
What is the SMILES notation for 1-[3-(dimethylamino)cyclohexyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea?
The canonical SMILES for 1-[3-(dimethylamino)cyclohexyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea is CC(CNC(=O)NC1CCCC(N(C)C)C1)N1CCOCC1C.
What is the InChIKey of 1-[3-(dimethylamino)cyclohexyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea?
The InChIKey is OOJSZCNCMDSDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-13(21-8-9-23-12-14(21)2)11-18-17(22)19-15-6-5-7-16(10-15)20(3)4/h13-16H,5-12H2,1-4H3,(H2,18,19,22).
What are the key properties of 1-[3-(dimethylamino)cyclohexyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea?
1-[3-(dimethylamino)cyclohexyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea has a molecular weight of 326.49 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)cyclohexyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea is sourced from PubChem (CID 71861946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).