1-butyl-1-(3-hydroxypropyl)urea

C8H18N2O2 — CID 87441686

IUPAC1-butyl-1-(3-hydroxypropyl)urea
SMILESCCCCN(CCCO)C(N)=O
InChIInChI=1S/C8H18N2O2/c1-2-3-5-10(8(9)12)6-4-7-11/h11H,2-7H2,1H3,(H2,9,12)
InChIKeyODKKCVWPOPNQIZ-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.55
Rot. Bonds6

About 1-butyl-1-(3-hydroxypropyl)urea

1-butyl-1-(3-hydroxypropyl)urea (PubChem CID 87441686) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-butyl-1-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-butyl-1-(3-hydroxypropyl)urea
PubChem CID87441686
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-butyl-1-(3-hydroxypropyl)urea
SMILESCCCCN(CCCO)C(N)=O
InChIInChI=1S/C8H18N2O2/c1-2-3-5-10(8(9)12)6-4-7-11/h11H,2-7H2,1H3,(H2,9,12)
InChIKeyODKKCVWPOPNQIZ-UHFFFAOYSA-N
XLogP0.55
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-1-dodecylurea
CID 168918855
1-[6-[carbamoyl(octadecyl)amino]hexyl]-1-octadecylurea
CID 87213493
1-(4-aminobutyl)-1-octadecylurea
CID 139835772
1-butyl-1-prop-2-ynylurea
CID 54279536
1,1-bis[(Z)-docos-13-enyl]urea
CID 174515686
ethyl N-heptyl-N-(3-hydroxypropyl)carbamate
CID 64593193
1-hexyl-1-(3-methylbutyl)urea
CID 173062711
N,N-bis(3-hydroxypropyl)icosanamide
CID 102118836
butan-1-ol;urea;hydrate
CID 172765702
2-[1-aminoethenyl(butyl)amino]ethanol
CID 166647301
N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide
CID 108509852
calcium;N,N-dibutylcarbamothioate;carbamothioate
CID 118002498

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-(3-hydroxypropyl)urea?
The IUPAC name of 1-butyl-1-(3-hydroxypropyl)urea (CID 87441686) is 1-butyl-1-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-butyl-1-(3-hydroxypropyl)urea?
The canonical SMILES for 1-butyl-1-(3-hydroxypropyl)urea is CCCCN(CCCO)C(N)=O.
What is the InChIKey of 1-butyl-1-(3-hydroxypropyl)urea?
The InChIKey is ODKKCVWPOPNQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-2-3-5-10(8(9)12)6-4-7-11/h11H,2-7H2,1H3,(H2,9,12).
What are the key properties of 1-butyl-1-(3-hydroxypropyl)urea?
1-butyl-1-(3-hydroxypropyl)urea has a molecular weight of 174.24 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-(3-hydroxypropyl)urea is sourced from PubChem (CID 87441686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).