1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea

C11H24N2O4 — CID 176960300

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea
SMILESCOCCOCCOCCNC(=O)NC(C)C
InChIInChI=1S/C11H24N2O4/c1-10(2)13-11(14)12-4-5-16-8-9-17-7-6-15-3/h10H,4-9H2,1-3H3,(H2,12,13,14)
InChIKeyYJUJLVAFRWZETC-UHFFFAOYSA-N
MW248.32 g/mol
LogP0.37
Rot. Bonds10

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea (PubChem CID 176960300) has the molecular formula C11H24N2O4 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea
PubChem CID176960300
Molecular FormulaC11H24N2O4
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea
SMILESCOCCOCCOCCNC(=O)NC(C)C
InChIInChI=1S/C11H24N2O4/c1-10(2)13-11(14)12-4-5-16-8-9-17-7-6-15-3/h10H,4-9H2,1-3H3,(H2,12,13,14)
InChIKeyYJUJLVAFRWZETC-UHFFFAOYSA-N
XLogP0.37
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 50.37
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-methoxyethoxy)ethyl]-3-propan-2-ylthiourea
CID 115583442
(2R)-2-[2-(2-methoxyethoxy)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927895
N-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 112991240
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 78977070
N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 59789572
2-[2-(3-methoxypropoxy)ethylcarbamoylamino]-3-methylbutanoic acid
CID 103178187
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentanamide
CID 104903353
2-(2-methoxyethoxy)ethyl 2-[6-[[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]carbamoylamino]hexylcarbamoylamino]propanoate
CID 59345980
3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide
CID 62726665
1-(2-methoxyethyl)-3-pentan-3-ylurea
CID 108888239
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea (CID 176960300) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea is COCCOCCOCCNC(=O)NC(C)C.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea?
The InChIKey is YJUJLVAFRWZETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4/c1-10(2)13-11(14)12-4-5-16-8-9-17-7-6-15-3/h10H,4-9H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea has a molecular weight of 248.32 g/mol, XLogP of 0.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 176960300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).