1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)urea

C18H27N3O2 — CID 113213970

IUPAC1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCc1ccc(C2(CNC(=O)NCCN3CCOCC3)CC2)cc1
InChIInChI=1S/C18H27N3O2/c1-15-2-4-16(5-3-15)18(6-7-18)14-20-17(22)19-8-9-21-10-12-23-13-11-21/h2-5H,6-14H2,1H3,(H2,19,20,22)
InChIKeyYJIAGIWOJAAYAH-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.66
Rot. Bonds6

About 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)urea

1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 113213970) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID113213970
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCc1ccc(C2(CNC(=O)NCCN3CCOCC3)CC2)cc1
InChIInChI=1S/C18H27N3O2/c1-15-2-4-16(5-3-15)18(6-7-18)14-20-17(22)19-8-9-21-10-12-23-13-11-21/h2-5H,6-14H2,1H3,(H2,19,20,22)
InChIKeyYJIAGIWOJAAYAH-UHFFFAOYSA-N
XLogP1.66
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522
1-butyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113213956
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[(4-phenyloxan-4-yl)methyl]urea
CID 86984557
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 112973612
1-[(4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 3230448
1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111098242
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108874898
2-(4-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51163883
1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111081339

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)urea (CID 113213970) is 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)urea is Cc1ccc(C2(CNC(=O)NCCN3CCOCC3)CC2)cc1.
What is the InChIKey of 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is YJIAGIWOJAAYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-15-2-4-16(5-3-15)18(6-7-18)14-20-17(22)19-8-9-21-10-12-23-13-11-21/h2-5H,6-14H2,1H3,(H2,19,20,22).
What are the key properties of 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)urea?
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 317.43 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 113213970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).