1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea

C18H29N3O3 — CID 112974407

IUPAC1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
SMILESCc1cc(C)c(OCCNC(=O)NCCN2CCOCC2)cc1C
InChIInChI=1S/C18H29N3O3/c1-14-12-16(3)17(13-15(14)2)24-9-5-20-18(22)19-4-6-21-7-10-23-11-8-21/h12-13H,4-11H2,1-3H3,(H2,19,20,22)
InChIKeyTUGWTOFOAXCPSQ-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.62
Rot. Bonds7

About 1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea

1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea (PubChem CID 112974407) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
PubChem CID112974407
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
SMILESCc1cc(C)c(OCCNC(=O)NCCN2CCOCC2)cc1C
InChIInChI=1S/C18H29N3O3/c1-14-12-16(3)17(13-15(14)2)24-9-5-20-18(22)19-4-6-21-7-10-23-11-8-21/h12-13H,4-11H2,1-3H3,(H2,19,20,22)
InChIKeyTUGWTOFOAXCPSQ-UHFFFAOYSA-N
XLogP1.62
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.62
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-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 112973612
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea
CID 108882401
1-[2-(dimethylamino)ethyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974406
1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217074
4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 3148041
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
2-[2-(2-morpholin-4-ylethylcarbamoylamino)ethoxy]acetic acid
CID 79463716
1-(2-methoxyethoxymethyl)-3-(2-morpholin-4-ylethyl)urea
CID 108894367
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
2-methoxy-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 131898398

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea (CID 112974407) is 1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea is Cc1cc(C)c(OCCNC(=O)NCCN2CCOCC2)cc1C.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
The InChIKey is TUGWTOFOAXCPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-14-12-16(3)17(13-15(14)2)24-9-5-20-18(22)19-4-6-21-7-10-23-11-8-21/h12-13H,4-11H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea?
1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea has a molecular weight of 335.45 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea is sourced from PubChem (CID 112974407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).