1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea

C16H20N2O4 — CID 24528840

IUPAC1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCCCOCc1ccco1
InChIInChI=1S/C16H20N2O4/c1-20-15-8-3-2-7-14(15)18-16(19)17-9-5-10-21-12-13-6-4-11-22-13/h2-4,6-8,11H,5,9-10,12H2,1H3,(H2,17,18,19)
InChIKeyGTIMCGPAFRWOKX-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.02
Rot. Bonds8

About 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea

1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea (PubChem CID 24528840) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea
PubChem CID24528840
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCCCOCc1ccco1
InChIInChI=1S/C16H20N2O4/c1-20-15-8-3-2-7-14(15)18-16(19)17-9-5-10-21-12-13-6-4-11-22-13/h2-4,6-8,11H,5,9-10,12H2,1H3,(H2,17,18,19)
InChIKeyGTIMCGPAFRWOKX-UHFFFAOYSA-N
XLogP3.02
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
N'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide
CID 87039475
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 27734061
2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 86925216
3-[3-(furan-2-ylmethoxy)propyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111281995
1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 31964425
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea
CID 47126067
1-(2-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881211
4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea (CID 24528840) is 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NCCCOCc1ccco1.
What is the InChIKey of 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea?
The InChIKey is GTIMCGPAFRWOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-20-15-8-3-2-7-14(15)18-16(19)17-9-5-10-21-12-13-6-4-11-22-13/h2-4,6-8,11H,5,9-10,12H2,1H3,(H2,17,18,19).
What are the key properties of 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea?
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea has a molecular weight of 304.35 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 24528840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).