1-(5-bromofuran-2-yl)-3-(3-butoxypropyl)urea

C12H19BrN2O3 — CID 108872832

IUPAC1-(5-bromofuran-2-yl)-3-(3-butoxypropyl)urea
SMILESCCCCOCCCNC(=O)Nc1ccc(Br)o1
InChIInChI=1S/C12H19BrN2O3/c1-2-3-8-17-9-4-7-14-12(16)15-11-6-5-10(13)18-11/h5-6H,2-4,7-9H2,1H3,(H2,14,15,16)
InChIKeySXJVPLCQUAREFP-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.37
Rot. Bonds8

About 1-(5-bromofuran-2-yl)-3-(3-butoxypropyl)urea

1-(5-bromofuran-2-yl)-3-(3-butoxypropyl)urea (PubChem CID 108872832) has the molecular formula C12H19BrN2O3 and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-3-(3-butoxypropyl)urea.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-3-(3-butoxypropyl)urea
PubChem CID108872832
Molecular FormulaC12H19BrN2O3
Molecular Weight319.20 g/mol
Exact Mass318.06
IUPAC Name1-(5-bromofuran-2-yl)-3-(3-butoxypropyl)urea
SMILESCCCCOCCCNC(=O)Nc1ccc(Br)o1
InChIInChI=1S/C12H19BrN2O3/c1-2-3-8-17-9-4-7-14-12(16)15-11-6-5-10(13)18-11/h5-6H,2-4,7-9H2,1H3,(H2,14,15,16)
InChIKeySXJVPLCQUAREFP-UHFFFAOYSA-N
XLogP3.37
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.37
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

N-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide
CID 108873033
1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea
CID 127566183
1-(3-butoxypropyl)-3-(2-chlorophenyl)urea
CID 78793865
1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108873114
3-(5-bromofuran-2-yl)-1-butyl-1-propylurea
CID 108872929
1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea
CID 82946717
1-(2-butoxyethyl)-3-(3-methylphenyl)urea
CID 141077224
butyl 2-(3-propoxypropylcarbamoylamino)benzoate
CID 3677749
1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868142
5-bromo-N-[3-(2-chloroethoxy)propyl]furan-2-carboxamide
CID 106306986
1-(3-butoxypropyl)-3-(3-oxobutyl)urea
CID 108894998
1-(3-butoxypropyl)-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825525

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-3-(3-butoxypropyl)urea?
The IUPAC name of 1-(5-bromofuran-2-yl)-3-(3-butoxypropyl)urea (CID 108872832) is 1-(5-bromofuran-2-yl)-3-(3-butoxypropyl)urea.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-3-(3-butoxypropyl)urea?
The canonical SMILES for 1-(5-bromofuran-2-yl)-3-(3-butoxypropyl)urea is CCCCOCCCNC(=O)Nc1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-3-(3-butoxypropyl)urea?
The InChIKey is SXJVPLCQUAREFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O3/c1-2-3-8-17-9-4-7-14-12(16)15-11-6-5-10(13)18-11/h5-6H,2-4,7-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-(5-bromofuran-2-yl)-3-(3-butoxypropyl)urea?
1-(5-bromofuran-2-yl)-3-(3-butoxypropyl)urea has a molecular weight of 319.20 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-3-(3-butoxypropyl)urea is sourced from PubChem (CID 108872832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).