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

C10H22N2O2 — CID 115660949

IUPAC1-butyl-3-(2-ethoxypropyl)urea
SMILESCCCCNC(=O)NCC(C)OCC
InChIInChI=1S/C10H22N2O2/c1-4-6-7-11-10(13)12-8-9(3)14-5-2/h9H,4-8H2,1-3H3,(H2,11,12,13)
InChIKeyCBPYDDNOOVCBRP-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.51
Rot. Bonds7

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

1-butyl-3-(2-ethoxypropyl)urea (PubChem CID 115660949) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-butyl-3-(2-ethoxypropyl)urea.

Molecular Properties

Compound Name1-butyl-3-(2-ethoxypropyl)urea
PubChem CID115660949
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-butyl-3-(2-ethoxypropyl)urea
SMILESCCCCNC(=O)NCC(C)OCC
InChIInChI=1S/C10H22N2O2/c1-4-6-7-11-10(13)12-8-9(3)14-5-2/h9H,4-8H2,1-3H3,(H2,11,12,13)
InChIKeyCBPYDDNOOVCBRP-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.51
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-(2-aminopropyl)-3-butylurea
CID 63733148
N-(2-ethoxypropyl)dodecanamide
CID 173205784
ethyl 2-(2-ethoxypropylcarbamoylamino)acetate
CID 115664872
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
1-butyl-3-[2-(ethylamino)propyl]urea
CID 22381398
1-butyl-3-(2-cyanopropyl)urea
CID 62653117
methyl N-(2-ethoxypropyl)carbamate
CID 115649304
1-hexyl-3-(2-hydroxypropyl)urea
CID 137320550
N-(2-ethoxypropyl)-3-(propan-2-ylamino)propanamide
CID 115734235
1-butyl-3-octylurea
CID 17269600
1-butyl-3-(2-ethoxyethyl)urea
CID 115583017
2-(butylcarbamoylamino)ethyl 2-methylpropanoate
CID 176996769

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-ethoxypropyl)urea?
The IUPAC name of 1-butyl-3-(2-ethoxypropyl)urea (CID 115660949) is 1-butyl-3-(2-ethoxypropyl)urea.
What is the SMILES notation for 1-butyl-3-(2-ethoxypropyl)urea?
The canonical SMILES for 1-butyl-3-(2-ethoxypropyl)urea is CCCCNC(=O)NCC(C)OCC.
What is the InChIKey of 1-butyl-3-(2-ethoxypropyl)urea?
The InChIKey is CBPYDDNOOVCBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-6-7-11-10(13)12-8-9(3)14-5-2/h9H,4-8H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-butyl-3-(2-ethoxypropyl)urea?
1-butyl-3-(2-ethoxypropyl)urea has a molecular weight of 202.30 g/mol, XLogP of 1.51, 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-ethoxypropyl)urea is sourced from PubChem (CID 115660949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).