3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea

C11H17N3O2 — CID 79154063

IUPAC3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cccc(OCCN)c1
InChIInChI=1S/C11H17N3O2/c1-14(2)11(15)13-9-4-3-5-10(8-9)16-7-6-12/h3-5,8H,6-7,12H2,1-2H3,(H,13,15)
InChIKeyGDCBUKIJEXRLLB-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.12
Rot. Bonds4

About 3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea

3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea (PubChem CID 79154063) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
PubChem CID79154063
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cccc(OCCN)c1
InChIInChI=1S/C11H17N3O2/c1-14(2)11(15)13-9-4-3-5-10(8-9)16-7-6-12/h3-5,8H,6-7,12H2,1-2H3,(H,13,15)
InChIKeyGDCBUKIJEXRLLB-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-2-methoxyacetamide
CID 61277360
1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea
CID 63121094
N-[3-(2-aminoethoxy)phenyl]-2-propylpentanamide
CID 82984960
N-[3-(2-aminoethoxy)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 43175539
N-[3-(2-aminoethoxy)phenyl]-4-ethylbenzamide
CID 43369477
N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide
CID 43369471
N-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide
CID 103017298
N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide
CID 63121269
3-[3-(2-chloroethoxy)phenyl]-1-methoxy-1-methylurea
CID 54473679
N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide
CID 81481242
N-[3-(2-aminoethoxy)phenyl]-1-methylcyclohexane-1-carboxamide
CID 106825950
N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide
CID 63121176

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea (CID 79154063) is 3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea is CN(C)C(=O)Nc1cccc(OCCN)c1.
What is the InChIKey of 3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea?
The InChIKey is GDCBUKIJEXRLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14(2)11(15)13-9-4-3-5-10(8-9)16-7-6-12/h3-5,8H,6-7,12H2,1-2H3,(H,13,15).
What are the key properties of 3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea?
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea has a molecular weight of 223.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea is sourced from PubChem (CID 79154063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).