1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea

C15H24N2O4 — CID 112975433

IUPAC1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea
SMILESCCCCNC(=O)NCCOc1cccc(OC)c1OC
InChIInChI=1S/C15H24N2O4/c1-4-5-9-16-15(18)17-10-11-21-13-8-6-7-12(19-2)14(13)20-3/h6-8H,4-5,9-11H2,1-3H3,(H2,16,17,18)
InChIKeyKJYDKDKVRWIYSB-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.18
Rot. Bonds9

About 1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea

1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea (PubChem CID 112975433) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea
PubChem CID112975433
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea
SMILESCCCCNC(=O)NCCOc1cccc(OC)c1OC
InChIInChI=1S/C15H24N2O4/c1-4-5-9-16-15(18)17-10-11-21-13-8-6-7-12(19-2)14(13)20-3/h6-8H,4-5,9-11H2,1-3H3,(H2,16,17,18)
InChIKeyKJYDKDKVRWIYSB-UHFFFAOYSA-N
XLogP2.18
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.18
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

N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide
CID 113101902
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112975521
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 112975532
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 112975469
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide
CID 113101933
1-[2-(2,3-dimethylphenoxy)ethyl]-3-pentylurea
CID 112973846
2-(2,3-dimethoxyphenoxy)-N-(3-methoxypropyl)acetamide
CID 112978341
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112975591
1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea
CID 112970219
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113101923
N-[2-(2,3-dimethoxyphenoxy)ethyl]-3-methylbenzamide
CID 113101912

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea?
The IUPAC name of 1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea (CID 112975433) is 1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea is CCCCNC(=O)NCCOc1cccc(OC)c1OC.
What is the InChIKey of 1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea?
The InChIKey is KJYDKDKVRWIYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-5-9-16-15(18)17-10-11-21-13-8-6-7-12(19-2)14(13)20-3/h6-8H,4-5,9-11H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea?
1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea has a molecular weight of 296.37 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea is sourced from PubChem (CID 112975433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).