1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea

C16H24N2O3 — CID 108913018

IUPAC1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea
SMILESCOc1ccccc1CCNC(=O)NCC1CCOCC1
InChIInChI=1S/C16H24N2O3/c1-20-15-5-3-2-4-14(15)6-9-17-16(19)18-12-13-7-10-21-11-8-13/h2-5,13H,6-12H2,1H3,(H2,17,18,19)
InChIKeyHXXQKJGDUMBASH-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.96
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea

1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea (PubChem CID 108913018) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea
PubChem CID108913018
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea
SMILESCOc1ccccc1CCNC(=O)NCC1CCOCC1
InChIInChI=1S/C16H24N2O3/c1-20-15-5-3-2-4-14(15)6-9-17-16(19)18-12-13-7-10-21-11-8-13/h2-5,13H,6-12H2,1H3,(H2,17,18,19)
InChIKeyHXXQKJGDUMBASH-UHFFFAOYSA-N
XLogP1.96
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912943
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111644087
1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112971672
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
3-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 78779689
1-[(E)-2-cyclohexylethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108912327
1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 97058604
3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
CID 124862992

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea (CID 108913018) is 1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea is COc1ccccc1CCNC(=O)NCC1CCOCC1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea?
The InChIKey is HXXQKJGDUMBASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-15-5-3-2-4-14(15)6-9-17-16(19)18-12-13-7-10-21-11-8-13/h2-5,13H,6-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea?
1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea has a molecular weight of 292.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 108913018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).