1-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea

C14H20N2O3 — CID 108910756

IUPAC1-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
SMILESCC/C=C/NC(=O)NCCOc1ccc(OC)cc1
InChIInChI=1S/C14H20N2O3/c1-3-4-9-15-14(17)16-10-11-19-13-7-5-12(18-2)6-8-13/h4-9H,3,10-11H2,1-2H3,(H2,15,16,17)/b9-4+
InChIKeyKNBQPBDXVHSNLE-RUDMXATFSA-N
MW264.33 g/mol
LogP2.30
Rot. Bonds7

About 1-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea

1-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea (PubChem CID 108910756) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
PubChem CID108910756
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name1-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
SMILESCC/C=C/NC(=O)NCCOc1ccc(OC)cc1
InChIInChI=1S/C14H20N2O3/c1-3-4-9-15-14(17)16-10-11-19-13-7-5-12(18-2)6-8-13/h4-9H,3,10-11H2,1-2H3,(H2,15,16,17)/b9-4+
InChIKeyKNBQPBDXVHSNLE-RUDMXATFSA-N
XLogP2.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.30
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-[2-(4-methoxyphenoxy)ethyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913312
4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid
CID 28511511
1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108988343
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216461
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
(E)-4-[2-(4-methoxyphenoxy)ethylamino]-4-oxobut-2-enoic acid
CID 82036708
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974607
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
N-[2-(4-methoxyphenoxy)ethyl]-N'-prop-2-enyloxamide
CID 108526449

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
The IUPAC name of 1-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea (CID 108910756) is 1-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea is CC/C=C/NC(=O)NCCOc1ccc(OC)cc1.
What is the InChIKey of 1-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
The InChIKey is KNBQPBDXVHSNLE-RUDMXATFSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-4-9-15-14(17)16-10-11-19-13-7-5-12(18-2)6-8-13/h4-9H,3,10-11H2,1-2H3,(H2,15,16,17)/b9-4+.
What are the key properties of 1-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
1-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea has a molecular weight of 264.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea is sourced from PubChem (CID 108910756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).