1-butyl-3-(2-ethoxyethyl)urea

C9H20N2O2 — CID 115583017

IUPAC1-butyl-3-(2-ethoxyethyl)urea
SMILESCCCCNC(=O)NCCOCC
InChIInChI=1S/C9H20N2O2/c1-3-5-6-10-9(12)11-7-8-13-4-2/h3-8H2,1-2H3,(H2,10,11,12)
InChIKeyJVPUYVWJSJKVND-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.12
Rot. Bonds7

About 1-butyl-3-(2-ethoxyethyl)urea

1-butyl-3-(2-ethoxyethyl)urea (PubChem CID 115583017) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-butyl-3-(2-ethoxyethyl)urea.

Molecular Properties

Compound Name1-butyl-3-(2-ethoxyethyl)urea
PubChem CID115583017
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-butyl-3-(2-ethoxyethyl)urea
SMILESCCCCNC(=O)NCCOCC
InChIInChI=1S/C9H20N2O2/c1-3-5-6-10-9(12)11-7-8-13-4-2/h3-8H2,1-2H3,(H2,10,11,12)
InChIKeyJVPUYVWJSJKVND-UHFFFAOYSA-N
XLogP1.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[2-(2,2-difluoroethoxy)ethyl]urea
CID 103082291
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
1-(3-ethoxypropyl)-3-ethylurea
CID 108890430
2-[2-(pentylcarbamoylamino)ethoxy]acetic acid
CID 79463025
1-dodecyl-3-[7-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]heptyl]urea
CID 101460044
1-butyl-3-octylurea
CID 17269600
1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea
CID 111337128
2-(butylcarbamoylamino)ethyl 2-methylpropanoate
CID 176996769
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea
CID 22381487
ethyl 4-(butylcarbamoylamino)butanoate
CID 60677353
2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid
CID 65223178

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-ethoxyethyl)urea?
The IUPAC name of 1-butyl-3-(2-ethoxyethyl)urea (CID 115583017) is 1-butyl-3-(2-ethoxyethyl)urea.
What is the SMILES notation for 1-butyl-3-(2-ethoxyethyl)urea?
The canonical SMILES for 1-butyl-3-(2-ethoxyethyl)urea is CCCCNC(=O)NCCOCC.
What is the InChIKey of 1-butyl-3-(2-ethoxyethyl)urea?
The InChIKey is JVPUYVWJSJKVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-5-6-10-9(12)11-7-8-13-4-2/h3-8H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-butyl-3-(2-ethoxyethyl)urea?
1-butyl-3-(2-ethoxyethyl)urea has a molecular weight of 188.27 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-ethoxyethyl)urea is sourced from PubChem (CID 115583017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).