1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea

C21H27N3O3 — CID 47079982

IUPAC1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1)NCc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C21H27N3O3/c25-21(22-16-18-5-2-1-3-6-18)23-17-19-7-4-8-20(15-19)27-14-11-24-9-12-26-13-10-24/h1-8,15H,9-14,16-17H2,(H2,22,23,25)
InChIKeyLJWCGAWHBJLTPY-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.40
Rot. Bonds8

About 1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea

1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea (PubChem CID 47079982) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
PubChem CID47079982
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1)NCc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C21H27N3O3/c25-21(22-16-18-5-2-1-3-6-18)23-17-19-7-4-8-20(15-19)27-14-11-24-9-12-26-13-10-24/h1-8,15H,9-14,16-17H2,(H2,22,23,25)
InChIKeyLJWCGAWHBJLTPY-UHFFFAOYSA-N
XLogP2.40
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea with MolForge

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48567496
1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48638168
1-(3,4-dichlorophenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 60590463
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22680140
(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865316
1-(4-bromo-2-methylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 60589914
2-methyl-1-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-phenoxyethyl)guanidine
CID 111004963
2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799134
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 48693485
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
2-methyl-1-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134226

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea?
The IUPAC name of 1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea (CID 47079982) is 1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea is O=C(NCc1ccccc1)NCc1cccc(OCCN2CCOCC2)c1.
What is the InChIKey of 1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea?
The InChIKey is LJWCGAWHBJLTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-21(22-16-18-5-2-1-3-6-18)23-17-19-7-4-8-20(15-19)27-14-11-24-9-12-26-13-10-24/h1-8,15H,9-14,16-17H2,(H2,22,23,25).
What are the key properties of 1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea?
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea has a molecular weight of 369.47 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea is sourced from PubChem (CID 47079982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).