1-(3-butoxypropyl)-3-(3-oxobutyl)urea

C12H24N2O3 — CID 108894998

IUPAC1-(3-butoxypropyl)-3-(3-oxobutyl)urea
SMILESCCCCOCCCNC(=O)NCCC(C)=O
InChIInChI=1S/C12H24N2O3/c1-3-4-9-17-10-5-7-13-12(16)14-8-6-11(2)15/h3-10H2,1-2H3,(H2,13,14,16)
InChIKeyZKZVNGOWIRXNSS-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.47
Rot. Bonds10

About 1-(3-butoxypropyl)-3-(3-oxobutyl)urea

1-(3-butoxypropyl)-3-(3-oxobutyl)urea (PubChem CID 108894998) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-3-(3-oxobutyl)urea.

Molecular Properties

Compound Name1-(3-butoxypropyl)-3-(3-oxobutyl)urea
PubChem CID108894998
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-(3-butoxypropyl)-3-(3-oxobutyl)urea
SMILESCCCCOCCCNC(=O)NCCC(C)=O
InChIInChI=1S/C12H24N2O3/c1-3-4-9-17-10-5-7-13-12(16)14-8-6-11(2)15/h3-10H2,1-2H3,(H2,13,14,16)
InChIKeyZKZVNGOWIRXNSS-UHFFFAOYSA-N
XLogP1.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide
CID 129222312
N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776
1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea
CID 22381487
1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea
CID 22381303
3-(3-butoxypropylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 113481168
3-butoxypropylurea
CID 115575573
N'-(3-butoxypropyl)-N-heptylbutanediamide
CID 5116303
11-butoxyundecan-2-one
CID 175547866
1-butoxybutane;propan-2-one
CID 18424800
N-(3-butoxypropyl)-5-hydroxypentanamide
CID 115886729
1-(3-ethoxypropyl)-3-ethylurea
CID 108890430
1-butyl-3-(2-ethoxyethyl)urea
CID 115583017

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropyl)-3-(3-oxobutyl)urea?
The IUPAC name of 1-(3-butoxypropyl)-3-(3-oxobutyl)urea (CID 108894998) is 1-(3-butoxypropyl)-3-(3-oxobutyl)urea.
What is the SMILES notation for 1-(3-butoxypropyl)-3-(3-oxobutyl)urea?
The canonical SMILES for 1-(3-butoxypropyl)-3-(3-oxobutyl)urea is CCCCOCCCNC(=O)NCCC(C)=O.
What is the InChIKey of 1-(3-butoxypropyl)-3-(3-oxobutyl)urea?
The InChIKey is ZKZVNGOWIRXNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-4-9-17-10-5-7-13-12(16)14-8-6-11(2)15/h3-10H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-(3-butoxypropyl)-3-(3-oxobutyl)urea?
1-(3-butoxypropyl)-3-(3-oxobutyl)urea has a molecular weight of 244.33 g/mol, XLogP of 1.47, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropyl)-3-(3-oxobutyl)urea is sourced from PubChem (CID 108894998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).