1-[2-(4-methoxyphenoxy)ethyl]-3-(oxan-4-ylidenemethyl)urea

C16H22N2O4 — CID 108913312

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-3-(oxan-4-ylidenemethyl)urea
SMILESCOc1ccc(OCCNC(=O)NC=C2CCOCC2)cc1
InChIInChI=1S/C16H22N2O4/c1-20-14-2-4-15(5-3-14)22-11-8-17-16(19)18-12-13-6-9-21-10-7-13/h2-5,12H,6-11H2,1H3,(H2,17,18,19)
InChIKeyUNHYXZTUQCMMOW-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.07
Rot. Bonds6

About 1-[2-(4-methoxyphenoxy)ethyl]-3-(oxan-4-ylidenemethyl)urea

1-[2-(4-methoxyphenoxy)ethyl]-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913312) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913312
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-3-(oxan-4-ylidenemethyl)urea
SMILESCOc1ccc(OCCNC(=O)NC=C2CCOCC2)cc1
InChIInChI=1S/C16H22N2O4/c1-20-14-2-4-15(5-3-14)22-11-8-17-16(19)18-12-13-6-9-21-10-7-13/h2-5,12H,6-11H2,1H3,(H2,17,18,19)
InChIKeyUNHYXZTUQCMMOW-UHFFFAOYSA-N
XLogP2.07
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.07
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-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108910756
1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108913488
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959866
4-[2-(4-methoxyphenoxy)ethylcarbamoylamino]butanoic acid
CID 28511511
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
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
N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide
CID 110296118

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-(oxan-4-ylidenemethyl)urea (CID 108913312) is 1-[2-(4-methoxyphenoxy)ethyl]-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-3-(oxan-4-ylidenemethyl)urea is COc1ccc(OCCNC(=O)NC=C2CCOCC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is UNHYXZTUQCMMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-20-14-2-4-15(5-3-14)22-11-8-17-16(19)18-12-13-6-9-21-10-7-13/h2-5,12H,6-11H2,1H3,(H2,17,18,19).
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-3-(oxan-4-ylidenemethyl)urea?
1-[2-(4-methoxyphenoxy)ethyl]-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 306.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).