1-butyl-3-(2-ethyl-2-hydroxybutyl)urea

C11H24N2O2 — CID 62068260

IUPAC1-butyl-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCCCNC(=O)NCC(O)(CC)CC
InChIInChI=1S/C11H24N2O2/c1-4-7-8-12-10(14)13-9-11(15,5-2)6-3/h15H,4-9H2,1-3H3,(H2,12,13,14)
InChIKeyWQIUYIHALWSZES-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.64
Rot. Bonds7

About 1-butyl-3-(2-ethyl-2-hydroxybutyl)urea

1-butyl-3-(2-ethyl-2-hydroxybutyl)urea (PubChem CID 62068260) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-butyl-3-(2-ethyl-2-hydroxybutyl)urea.

Molecular Properties

Compound Name1-butyl-3-(2-ethyl-2-hydroxybutyl)urea
PubChem CID62068260
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1-butyl-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCCCNC(=O)NCC(O)(CC)CC
InChIInChI=1S/C11H24N2O2/c1-4-7-8-12-10(14)13-9-11(15,5-2)6-3/h15H,4-9H2,1-3H3,(H2,12,13,14)
InChIKeyWQIUYIHALWSZES-UHFFFAOYSA-N
XLogP1.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.64
H-Bond Donors ≤ 53
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-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
1-butyl-3-octylurea
CID 17269600
1-butyl-3-[2,2-dimethyl-3-(methylamino)propyl]urea
CID 22381505
1-butyl-3-[3-(ethylamino)-2-(ethylaminomethyl)-2-methylpropyl]urea
CID 22381260
1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 65113623
1-butyl-3-(3-ethylpentan-3-yl)urea
CID 115660913
1-butyl-3-(4,4,4-trifluorobutyl)urea
CID 115663087
1-butyl-3-(3-methylsulfonylpropyl)urea
CID 115597957
2,2-dimethyl-3-(pentylcarbamoylamino)propanoic acid
CID 115428270
2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65105640
3-(hexylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428854
1-butyl-3-methylurea;hydrochloride
CID 20501295

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-ethyl-2-hydroxybutyl)urea?
The IUPAC name of 1-butyl-3-(2-ethyl-2-hydroxybutyl)urea (CID 62068260) is 1-butyl-3-(2-ethyl-2-hydroxybutyl)urea.
What is the SMILES notation for 1-butyl-3-(2-ethyl-2-hydroxybutyl)urea?
The canonical SMILES for 1-butyl-3-(2-ethyl-2-hydroxybutyl)urea is CCCCNC(=O)NCC(O)(CC)CC.
What is the InChIKey of 1-butyl-3-(2-ethyl-2-hydroxybutyl)urea?
The InChIKey is WQIUYIHALWSZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-7-8-12-10(14)13-9-11(15,5-2)6-3/h15H,4-9H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-butyl-3-(2-ethyl-2-hydroxybutyl)urea?
1-butyl-3-(2-ethyl-2-hydroxybutyl)urea has a molecular weight of 216.32 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-ethyl-2-hydroxybutyl)urea is sourced from PubChem (CID 62068260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).