1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea

C17H27N3O3 — CID 112973612

IUPAC1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCc1ccc(OCCNC(=O)NCCN2CCOCC2)c(C)c1
InChIInChI=1S/C17H27N3O3/c1-14-3-4-16(15(2)13-14)23-10-6-19-17(21)18-5-7-20-8-11-22-12-9-20/h3-4,13H,5-12H2,1-2H3,(H2,18,19,21)
InChIKeyJTVNCYPZNUIQLC-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.31
Rot. Bonds7

About 1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea

1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 112973612) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID112973612
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCc1ccc(OCCNC(=O)NCCN2CCOCC2)c(C)c1
InChIInChI=1S/C17H27N3O3/c1-14-3-4-16(15(2)13-14)23-10-6-19-17(21)18-5-7-20-8-11-22-12-9-20/h3-4,13H,5-12H2,1-2H3,(H2,18,19,21)
InChIKeyJTVNCYPZNUIQLC-UHFFFAOYSA-N
XLogP1.31
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974407
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea
CID 108882401
4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 3148041
1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973601
N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112973614
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522
1-[2-(dimethylamino)ethyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973611
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112973603
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973607
3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016626
3-(2,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016591

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea (CID 112973612) is 1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea is Cc1ccc(OCCNC(=O)NCCN2CCOCC2)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is JTVNCYPZNUIQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-14-3-4-16(15(2)13-14)23-10-6-19-17(21)18-5-7-20-8-11-22-12-9-20/h3-4,13H,5-12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea?
1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 321.42 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 112973612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).