3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea

C15H25N3O2 — CID 83116569

IUPAC3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
SMILESCCOc1ccccc1C(C)NCCNC(=O)N(C)C
InChIInChI=1S/C15H25N3O2/c1-5-20-14-9-7-6-8-13(14)12(2)16-10-11-17-15(19)18(3)4/h6-9,12,16H,5,10-11H2,1-4H3,(H,17,19)
InChIKeySYADOHWTHLMYEC-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.01
Rot. Bonds7

About 3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea

3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea (PubChem CID 83116569) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
PubChem CID83116569
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
SMILESCCOc1ccccc1C(C)NCCNC(=O)N(C)C
InChIInChI=1S/C15H25N3O2/c1-5-20-14-9-7-6-8-13(14)12(2)16-10-11-17-15(19)18(3)4/h6-9,12,16H,5,10-11H2,1-4H3,(H,17,19)
InChIKeySYADOHWTHLMYEC-UHFFFAOYSA-N
XLogP2.01
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43203001
3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116843
1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea
CID 83116277
N-[1-(2-ethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097849
4-[1-(2-ethoxyphenyl)ethylamino]butanamide
CID 60864453
3-[2-[1-(2,5-dimethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83112283
2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 106335143
N-[1-(2-ethoxyphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43194057
N-[2-[1-(2-methoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43202951
5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol
CID 113350527
ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate
CID 60812252
5-[1-(2-ethoxyphenyl)ethylamino]pentan-2-ol
CID 107270389

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea (CID 83116569) is 3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea is CCOc1ccccc1C(C)NCCNC(=O)N(C)C.
What is the InChIKey of 3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea?
The InChIKey is SYADOHWTHLMYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-20-14-9-7-6-8-13(14)12(2)16-10-11-17-15(19)18(3)4/h6-9,12,16H,5,10-11H2,1-4H3,(H,17,19).
What are the key properties of 3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea?
3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea has a molecular weight of 279.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83116569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).