3-(2-ethoxyethyl)-1-methyl-1-(4-methylpentan-2-yl)urea

C12H26N2O2 — CID 71940713

IUPAC3-(2-ethoxyethyl)-1-methyl-1-(4-methylpentan-2-yl)urea
SMILESCCOCCNC(=O)N(C)C(C)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-6-16-8-7-13-12(15)14(5)11(4)9-10(2)3/h10-11H,6-9H2,1-5H3,(H,13,15)
InChIKeyZYAYHGBWMCHKON-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.10
Rot. Bonds7

About 3-(2-ethoxyethyl)-1-methyl-1-(4-methylpentan-2-yl)urea

3-(2-ethoxyethyl)-1-methyl-1-(4-methylpentan-2-yl)urea (PubChem CID 71940713) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-1-methyl-1-(4-methylpentan-2-yl)urea.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-1-methyl-1-(4-methylpentan-2-yl)urea
PubChem CID71940713
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-(2-ethoxyethyl)-1-methyl-1-(4-methylpentan-2-yl)urea
SMILESCCOCCNC(=O)N(C)C(C)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-6-16-8-7-13-12(15)14(5)11(4)9-10(2)3/h10-11H,6-9H2,1-5H3,(H,13,15)
InChIKeyZYAYHGBWMCHKON-UHFFFAOYSA-N
XLogP2.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-ethoxyethyl)-1-methyl-1-(4-methylpentan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-(3-methylbutyl)-1-[(2R)-4-methylpentan-2-yl]urea
CID 97014475
N-(2-ethoxyethyl)-3-methylbutanamide
CID 58439580
3-[2-ethoxyethylcarbamoyl(ethyl)amino]butanoic acid
CID 55122563
2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide
CID 93344235
1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea
CID 111337128
2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463536
2-(2-ethoxyethylamino)-4-methylpentan-1-ol
CID 61246725
(2R)-3-methyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
CID 79009702
2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl-methylamino]butanoic acid
CID 114162542
1-[[[methyl(4-methylpentan-2-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436843
N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]propanamide
CID 153298886
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-1-methyl-1-(4-methylpentan-2-yl)urea?
The IUPAC name of 3-(2-ethoxyethyl)-1-methyl-1-(4-methylpentan-2-yl)urea (CID 71940713) is 3-(2-ethoxyethyl)-1-methyl-1-(4-methylpentan-2-yl)urea.
What is the SMILES notation for 3-(2-ethoxyethyl)-1-methyl-1-(4-methylpentan-2-yl)urea?
The canonical SMILES for 3-(2-ethoxyethyl)-1-methyl-1-(4-methylpentan-2-yl)urea is CCOCCNC(=O)N(C)C(C)CC(C)C.
What is the InChIKey of 3-(2-ethoxyethyl)-1-methyl-1-(4-methylpentan-2-yl)urea?
The InChIKey is ZYAYHGBWMCHKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-16-8-7-13-12(15)14(5)11(4)9-10(2)3/h10-11H,6-9H2,1-5H3,(H,13,15).
What are the key properties of 3-(2-ethoxyethyl)-1-methyl-1-(4-methylpentan-2-yl)urea?
3-(2-ethoxyethyl)-1-methyl-1-(4-methylpentan-2-yl)urea has a molecular weight of 230.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-1-methyl-1-(4-methylpentan-2-yl)urea is sourced from PubChem (CID 71940713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).