1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea

C16H20N2O3 — CID 108883809

IUPAC1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCc1ccccc1OCCCNC(=O)NCc1ccco1
InChIInChI=1S/C16H20N2O3/c1-13-6-2-3-8-15(13)21-11-5-9-17-16(19)18-12-14-7-4-10-20-14/h2-4,6-8,10H,5,9,11-12H2,1H3,(H2,17,18,19)
InChIKeyBNSKWWDROQNFNK-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.86
Rot. Bonds7

About 1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea

1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea (PubChem CID 108883809) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea
PubChem CID108883809
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCc1ccccc1OCCCNC(=O)NCc1ccco1
InChIInChI=1S/C16H20N2O3/c1-13-6-2-3-8-15(13)21-11-5-9-17-16(19)18-12-14-7-4-10-20-14/h2-4,6-8,10H,5,9,11-12H2,1H3,(H2,17,18,19)
InChIKeyBNSKWWDROQNFNK-UHFFFAOYSA-N
XLogP2.86
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.86
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

1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
1-(furan-2-ylmethyl)-3-(2-phenoxyethyl)urea
CID 47125764
N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine
CID 16614204
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea
CID 112973955
1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 47307518
N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide
CID 108883904
1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112975963
1-[3-(2-methylphenoxy)propyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 108883825
6-(furan-2-ylmethylcarbamoylamino)hexanoic acid
CID 61188617
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea
CID 47322764
1-[2-(2-methylphenoxy)ethyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 86826143

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea (CID 108883809) is 1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea is Cc1ccccc1OCCCNC(=O)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea?
The InChIKey is BNSKWWDROQNFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-13-6-2-3-8-15(13)21-11-5-9-17-16(19)18-12-14-7-4-10-20-14/h2-4,6-8,10H,5,9,11-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea?
1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea has a molecular weight of 288.35 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea is sourced from PubChem (CID 108883809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).