3-[2-(2-methoxyethoxy)ethyl]-1,1-dimethylurea

C8H18N2O3 — CID 115580140

IUPAC3-[2-(2-methoxyethoxy)ethyl]-1,1-dimethylurea
SMILESCOCCOCCNC(=O)N(C)C
InChIInChI=1S/C8H18N2O3/c1-10(2)8(11)9-4-5-13-7-6-12-3/h4-7H2,1-3H3,(H,9,11)
InChIKeyLYRYEZVLXZNXKA-UHFFFAOYSA-N
MW190.24 g/mol
LogP-0.08
Rot. Bonds6

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

3-[2-(2-methoxyethoxy)ethyl]-1,1-dimethylurea (PubChem CID 115580140) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethyl]-1,1-dimethylurea
PubChem CID115580140
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name3-[2-(2-methoxyethoxy)ethyl]-1,1-dimethylurea
SMILESCOCCOCCNC(=O)N(C)C
InChIInChI=1S/C8H18N2O3/c1-10(2)8(11)9-4-5-13-7-6-12-3/h4-7H2,1-3H3,(H,9,11)
InChIKeyLYRYEZVLXZNXKA-UHFFFAOYSA-N
XLogP-0.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
2-(2-methoxyethoxy)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]acetamide
CID 175629817
2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide
CID 83110719
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 78977070
N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 59789572
N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide
CID 139430629
2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266737
4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265735
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea
CID 176960300
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide
CID 107027119

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethyl]-1,1-dimethylurea (CID 115580140) is 3-[2-(2-methoxyethoxy)ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethyl]-1,1-dimethylurea is COCCOCCNC(=O)N(C)C.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethyl]-1,1-dimethylurea?
The InChIKey is LYRYEZVLXZNXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-10(2)8(11)9-4-5-13-7-6-12-3/h4-7H2,1-3H3,(H,9,11).
What are the key properties of 3-[2-(2-methoxyethoxy)ethyl]-1,1-dimethylurea?
3-[2-(2-methoxyethoxy)ethyl]-1,1-dimethylurea has a molecular weight of 190.24 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethyl]-1,1-dimethylurea is sourced from PubChem (CID 115580140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).