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

C16H31N3O2 — CID 71859636

IUPAC1-ethyl-1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea
SMILESCCN(C)C(=O)NCC1(CN2CCOCC2)CCCCC1
InChIInChI=1S/C16H31N3O2/c1-3-18(2)15(20)17-13-16(7-5-4-6-8-16)14-19-9-11-21-12-10-19/h3-14H2,1-2H3,(H,17,20)
InChIKeyHDYDDNOEPFNFJY-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.93
Rot. Bonds5

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

1-ethyl-1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea (PubChem CID 71859636) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea
PubChem CID71859636
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-ethyl-1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea
SMILESCCN(C)C(=O)NCC1(CN2CCOCC2)CCCCC1
InChIInChI=1S/C16H31N3O2/c1-3-18(2)15(20)17-13-16(7-5-4-6-8-16)14-19-9-11-21-12-10-19/h3-14H2,1-2H3,(H,17,20)
InChIKeyHDYDDNOEPFNFJY-UHFFFAOYSA-N
XLogP1.93
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea?
The IUPAC name of 1-ethyl-1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea (CID 71859636) is 1-ethyl-1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea?
The canonical SMILES for 1-ethyl-1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea is CCN(C)C(=O)NCC1(CN2CCOCC2)CCCCC1.
What is the InChIKey of 1-ethyl-1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea?
The InChIKey is HDYDDNOEPFNFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-3-18(2)15(20)17-13-16(7-5-4-6-8-16)14-19-9-11-21-12-10-19/h3-14H2,1-2H3,(H,17,20).
What are the key properties of 1-ethyl-1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea?
1-ethyl-1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea has a molecular weight of 297.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]urea is sourced from PubChem (CID 71859636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).