1-[2-(2-hydroxyethoxy)ethyl]-3-(phenoxymethyl)urea

C12H18N2O4 — CID 108888910

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-3-(phenoxymethyl)urea
SMILESO=C(NCCOCCO)NCOc1ccccc1
InChIInChI=1S/C12H18N2O4/c15-7-9-17-8-6-13-12(16)14-10-18-11-4-2-1-3-5-11/h1-5,15H,6-10H2,(H2,13,14,16)
InChIKeyGXOKFBGUSCNMCD-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.33
Rot. Bonds8

About 1-[2-(2-hydroxyethoxy)ethyl]-3-(phenoxymethyl)urea

1-[2-(2-hydroxyethoxy)ethyl]-3-(phenoxymethyl)urea (PubChem CID 108888910) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-3-(phenoxymethyl)urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-3-(phenoxymethyl)urea
PubChem CID108888910
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-3-(phenoxymethyl)urea
SMILESO=C(NCCOCCO)NCOc1ccccc1
InChIInChI=1S/C12H18N2O4/c15-7-9-17-8-6-13-12(16)14-10-18-11-4-2-1-3-5-11/h1-5,15H,6-10H2,(H2,13,14,16)
InChIKeyGXOKFBGUSCNMCD-UHFFFAOYSA-N
XLogP0.33
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide
CID 60654485
1-butyl-3-(phenoxymethyl)urea
CID 108888779
1-(phenoxymethyl)-3-(4-phenylbutyl)urea
CID 108889088
2-(2-phenoxyethoxy)ethanol
CID 7715
1-[2-(2-hydroxyethoxy)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 108899714
N-[2-(2-hydroxyethoxy)ethyl]-2-phenoxybutanamide
CID 60654444
1-[2-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108900299
1-(phenoxymethyl)-3-prop-2-enylurea
CID 108888930
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
methyl 2-(2-phenoxyethylcarbamoylamino)acetate
CID 108887152
2-(benzenesulfonamido)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 62499250
2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 162233537

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-(phenoxymethyl)urea?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-(phenoxymethyl)urea (CID 108888910) is 1-[2-(2-hydroxyethoxy)ethyl]-3-(phenoxymethyl)urea.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-3-(phenoxymethyl)urea?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-3-(phenoxymethyl)urea is O=C(NCCOCCO)NCOc1ccccc1.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-3-(phenoxymethyl)urea?
The InChIKey is GXOKFBGUSCNMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c15-7-9-17-8-6-13-12(16)14-10-18-11-4-2-1-3-5-11/h1-5,15H,6-10H2,(H2,13,14,16).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-3-(phenoxymethyl)urea?
1-[2-(2-hydroxyethoxy)ethyl]-3-(phenoxymethyl)urea has a molecular weight of 254.29 g/mol, XLogP of 0.33, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-3-(phenoxymethyl)urea is sourced from PubChem (CID 108888910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).