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

C15H23N3O2 — CID 33427522

IUPAC1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCc1ccc(CNC(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C15H23N3O2/c1-13-2-4-14(5-3-13)12-17-15(19)16-6-7-18-8-10-20-11-9-18/h2-5H,6-12H2,1H3,(H2,16,17,19)
InChIKeyJVGRUYFYMMXBHT-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.13
Rot. Bonds5

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

1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 33427522) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID33427522
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCc1ccc(CNC(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C15H23N3O2/c1-13-2-4-14(5-3-13)12-17-15(19)16-6-7-18-8-10-20-11-9-18/h2-5H,6-12H2,1H3,(H2,16,17,19)
InChIKeyJVGRUYFYMMXBHT-UHFFFAOYSA-N
XLogP1.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108899068
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)urea
CID 113213970
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
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-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 47038651
5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46279011
2-[(4-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-[(4-nitrophenyl)methyl]guanidine
CID 136921075
1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 84586646
1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea
CID 158422773

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea (CID 33427522) is 1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea is Cc1ccc(CNC(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is JVGRUYFYMMXBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-13-2-4-14(5-3-13)12-17-15(19)16-6-7-18-8-10-20-11-9-18/h2-5H,6-12H2,1H3,(H2,16,17,19).
What are the key properties of 1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea?
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 277.37 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 33427522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).