1-(furan-2-ylmethyl)-3-(3-phenylpropyl)urea

C15H18N2O2 — CID 47125855

IUPAC1-(furan-2-ylmethyl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NCc1ccco1
InChIInChI=1S/C15H18N2O2/c18-15(17-12-14-9-5-11-19-14)16-10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11H,4,8,10,12H2,(H2,16,17,18)
InChIKeyHOQHZAOWYHCGHF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.71
Rot. Bonds6

About 1-(furan-2-ylmethyl)-3-(3-phenylpropyl)urea

1-(furan-2-ylmethyl)-3-(3-phenylpropyl)urea (PubChem CID 47125855) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(3-phenylpropyl)urea
PubChem CID47125855
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(furan-2-ylmethyl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NCc1ccco1
InChIInChI=1S/C15H18N2O2/c18-15(17-12-14-9-5-11-19-14)16-10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11H,4,8,10,12H2,(H2,16,17,18)
InChIKeyHOQHZAOWYHCGHF-UHFFFAOYSA-N
XLogP2.71
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.71
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

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N-(2-Furylmethyl)benzamide
CID 236716
Furfurylamine, alpha-benzyl-N-ethyl-
CID 52652
Furfurylamphetamine
CID 18116
[(Furan-2-yl)methyl]urea
CID 587724
N-(2-Furylmethyl)-2-methoxybenzamide
CID 803371
n-(2-Furylmethyl)-2-phenoxyacetamide
CID 240163
N-benzylfuran-2-carboxamide
CID 347531
N-(2-Furylmethyl)-3-phenylacrylamide
CID 732131
N-{2-Furan-2-yl-1-[(furan-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5755140

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(3-phenylpropyl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(3-phenylpropyl)urea (CID 47125855) is 1-(furan-2-ylmethyl)-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(3-phenylpropyl)urea is O=C(NCCCc1ccccc1)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(3-phenylpropyl)urea?
The InChIKey is HOQHZAOWYHCGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(17-12-14-9-5-11-19-14)16-10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11H,4,8,10,12H2,(H2,16,17,18).
What are the key properties of 1-(furan-2-ylmethyl)-3-(3-phenylpropyl)urea?
1-(furan-2-ylmethyl)-3-(3-phenylpropyl)urea has a molecular weight of 258.32 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(3-phenylpropyl)urea is sourced from PubChem (CID 47125855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).