3-butoxypropylurea

C8H18N2O2 — CID 115575573

IUPAC3-butoxypropylurea
SMILESCCCCOCCCNC(N)=O
InChIInChI=1S/C8H18N2O2/c1-2-3-6-12-7-4-5-10-8(9)11/h2-7H2,1H3,(H3,9,10,11)
InChIKeyAAMFCIXUZSOJHQ-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.86
Rot. Bonds7

About 3-butoxypropylurea

3-butoxypropylurea (PubChem CID 115575573) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-butoxypropylurea.

Molecular Properties

Compound Name3-butoxypropylurea
PubChem CID115575573
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name3-butoxypropylurea
SMILESCCCCOCCCNC(N)=O
InChIInChI=1S/C8H18N2O2/c1-2-3-6-12-7-4-5-10-8(9)11/h2-7H2,1H3,(H3,9,10,11)
InChIKeyAAMFCIXUZSOJHQ-UHFFFAOYSA-N
XLogP0.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.86
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

3-[3-(ethylamino)propoxy]propylurea
CID 22381168
pentylurea;hydrate
CID 172845599
N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776
1-(3-butoxypropyl)-2-methylguanidine
CID 23103881
butylurea;silicic acid
CID 86735760
3-methoxypropylurea
CID 2064040
3-(carbamoylamino)propyl trihexyl silicate
CID 175544695
N'-(3-butoxypropyl)-N-heptylbutanediamide
CID 5116303
(2S)-N-(3-butoxypropyl)-2-chloropropanamide
CID 92660561
2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide
CID 115750966
1,2-bis(3-butoxypropyl)guanidine
CID 23104027
N-(3-butoxypropyl)-2-(propylamino)acetamide
CID 115574332

Frequently Asked Questions

What is the IUPAC name of 3-butoxypropylurea?
The IUPAC name of 3-butoxypropylurea (CID 115575573) is 3-butoxypropylurea.
What is the SMILES notation for 3-butoxypropylurea?
The canonical SMILES for 3-butoxypropylurea is CCCCOCCCNC(N)=O.
What is the InChIKey of 3-butoxypropylurea?
The InChIKey is AAMFCIXUZSOJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-2-3-6-12-7-4-5-10-8(9)11/h2-7H2,1H3,(H3,9,10,11).
What are the key properties of 3-butoxypropylurea?
3-butoxypropylurea has a molecular weight of 174.24 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxypropylurea is sourced from PubChem (CID 115575573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).