1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea

C15H29N3O2 — CID 71975518

IUPAC1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea
SMILESCCNC(=O)NCC1(CN2CCOCC2)CCCCC1
InChIInChI=1S/C15H29N3O2/c1-2-16-14(19)17-12-15(6-4-3-5-7-15)13-18-8-10-20-11-9-18/h2-13H2,1H3,(H2,16,17,19)
InChIKeyVFKUKOCTZMPWCK-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.59
Rot. Bonds5

About 1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea

1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea (PubChem CID 71975518) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea
PubChem CID71975518
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea
SMILESCCNC(=O)NCC1(CN2CCOCC2)CCCCC1
InChIInChI=1S/C15H29N3O2/c1-2-16-14(19)17-12-15(6-4-3-5-7-15)13-18-8-10-20-11-9-18/h2-13H2,1H3,(H2,16,17,19)
InChIKeyVFKUKOCTZMPWCK-UHFFFAOYSA-N
XLogP1.59
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea?
The IUPAC name of 1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea (CID 71975518) is 1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea?
The canonical SMILES for 1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea is CCNC(=O)NCC1(CN2CCOCC2)CCCCC1.
What is the InChIKey of 1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea?
The InChIKey is VFKUKOCTZMPWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-2-16-14(19)17-12-15(6-4-3-5-7-15)13-18-8-10-20-11-9-18/h2-13H2,1H3,(H2,16,17,19).
What are the key properties of 1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea?
1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea has a molecular weight of 283.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea is sourced from PubChem (CID 71975518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).