1-[2-(4-cyanophenoxy)ethyl]-3-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea

C18H21N3O4 — CID 166220168

IUPAC1-[2-(4-cyanophenoxy)ethyl]-3-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea
SMILESCOCC(NC(=O)NCCOc1ccc(C#N)cc1)c1ccc(C)o1
InChIInChI=1S/C18H21N3O4/c1-13-3-8-17(25-13)16(12-23-2)21-18(22)20-9-10-24-15-6-4-14(11-19)5-7-15/h3-8,16H,9-10,12H2,1-2H3,(H2,20,21,22)
InChIKeyBEYPBSFGDBKVMB-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.53
Rot. Bonds8

About 1-[2-(4-cyanophenoxy)ethyl]-3-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea

1-[2-(4-cyanophenoxy)ethyl]-3-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea (PubChem CID 166220168) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-[2-(4-cyanophenoxy)ethyl]-3-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-cyanophenoxy)ethyl]-3-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea
PubChem CID166220168
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1-[2-(4-cyanophenoxy)ethyl]-3-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea
SMILESCOCC(NC(=O)NCCOc1ccc(C#N)cc1)c1ccc(C)o1
InChIInChI=1S/C18H21N3O4/c1-13-3-8-17(25-13)16(12-23-2)21-18(22)20-9-10-24-15-6-4-14(11-19)5-7-15/h3-8,16H,9-10,12H2,1-2H3,(H2,20,21,22)
InChIKeyBEYPBSFGDBKVMB-UHFFFAOYSA-N
XLogP2.53
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoylamino]methyl]benzoic acid
CID 122004789
2-(4-cyanophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51157171
1-[2-(4-tert-butylphenoxy)ethyl]-3-(4-cyanophenyl)urea
CID 112972931
2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide
CID 111562734
4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride
CID 146277545
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzonitrile
CID 177395107
4-[2-(2-methoxyethoxy)ethoxy]benzonitrile
CID 43289507
1-(4-cyanophenyl)-3-[2-(2,5-dimethylphenoxy)ethyl]urea
CID 112973594
(3R)-N-[2-(4-cyanophenoxy)ethyl]-3-methylpyrrolidine-1-carboxamide
CID 97023654
2-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 60919147
6-[[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-N-propylpyridine-3-carboxamide
CID 97098793
N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide
CID 51142297

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyanophenoxy)ethyl]-3-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea?
The IUPAC name of 1-[2-(4-cyanophenoxy)ethyl]-3-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea (CID 166220168) is 1-[2-(4-cyanophenoxy)ethyl]-3-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(4-cyanophenoxy)ethyl]-3-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-(4-cyanophenoxy)ethyl]-3-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea is COCC(NC(=O)NCCOc1ccc(C#N)cc1)c1ccc(C)o1.
What is the InChIKey of 1-[2-(4-cyanophenoxy)ethyl]-3-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea?
The InChIKey is BEYPBSFGDBKVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-13-3-8-17(25-13)16(12-23-2)21-18(22)20-9-10-24-15-6-4-14(11-19)5-7-15/h3-8,16H,9-10,12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(4-cyanophenoxy)ethyl]-3-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea?
1-[2-(4-cyanophenoxy)ethyl]-3-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea has a molecular weight of 343.38 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyanophenoxy)ethyl]-3-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]urea is sourced from PubChem (CID 166220168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).