1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea

C16H20N2O3 — CID 112973955

IUPAC1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea
SMILESCc1cc(C)cc(OCCNC(=O)NCc2ccco2)c1
InChIInChI=1S/C16H20N2O3/c1-12-8-13(2)10-15(9-12)21-7-5-17-16(19)18-11-14-4-3-6-20-14/h3-4,6,8-10H,5,7,11H2,1-2H3,(H2,17,18,19)
InChIKeyFKQFVXWLANLOLD-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.77
Rot. Bonds6

About 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea

1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea (PubChem CID 112973955) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea
PubChem CID112973955
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea
SMILESCc1cc(C)cc(OCCNC(=O)NCc2ccco2)c1
InChIInChI=1S/C16H20N2O3/c1-12-8-13(2)10-15(9-12)21-7-5-17-16(19)18-11-14-4-3-6-20-14/h3-4,6,8-10H,5,7,11H2,1-2H3,(H2,17,18,19)
InChIKeyFKQFVXWLANLOLD-UHFFFAOYSA-N
XLogP2.77
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.77
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-(furan-2-ylmethyl)-3-(2-phenoxyethyl)urea
CID 47125764
3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17034727
1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea
CID 47322764
1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883809
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea
CID 52743823
N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108517692
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 60573209
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea
CID 110904066
1-butyl-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112973945
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631
1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112975963
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 2600442

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea (CID 112973955) is 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea is Cc1cc(C)cc(OCCNC(=O)NCc2ccco2)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea?
The InChIKey is FKQFVXWLANLOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12-8-13(2)10-15(9-12)21-7-5-17-16(19)18-11-14-4-3-6-20-14/h3-4,6,8-10H,5,7,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea?
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea has a molecular weight of 288.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 112973955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).