1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(2-phenoxyethoxy)phenyl]urea

C20H24N2O5 — CID 125167190

IUPAC1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(2-phenoxyethoxy)phenyl]urea
SMILESO=C(NC[C@@H]1COCCO1)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C20H24N2O5/c23-20(21-14-17-15-24-10-11-26-17)22-18-8-4-5-9-19(18)27-13-12-25-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H2,21,22,23)/t17-/m1/s1
InChIKeyPRJJMBVXHUPFFV-QGZVFWFLSA-N
MW372.42 g/mol
LogP2.68
Rot. Bonds8

About 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(2-phenoxyethoxy)phenyl]urea

1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(2-phenoxyethoxy)phenyl]urea (PubChem CID 125167190) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(2-phenoxyethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(2-phenoxyethoxy)phenyl]urea
PubChem CID125167190
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(2-phenoxyethoxy)phenyl]urea
SMILESO=C(NC[C@@H]1COCCO1)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C20H24N2O5/c23-20(21-14-17-15-24-10-11-26-17)22-18-8-4-5-9-19(18)27-13-12-25-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H2,21,22,23)/t17-/m1/s1
InChIKeyPRJJMBVXHUPFFV-QGZVFWFLSA-N
XLogP2.68
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.68
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

1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(2-methoxyphenoxy)phenyl]urea
CID 94652910
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(2-thiophen-2-ylphenyl)urea
CID 94652918
2-[2-(aminomethyl)phenoxy]-N-(1,4-dioxan-2-ylmethyl)acetamide
CID 61023833
1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(2-methylquinolin-5-yl)urea
CID 125163671
1-(1,4-dioxan-2-ylmethyl)-3-(2-methylquinolin-5-yl)urea
CID 118763416
4-(1,4-dioxan-2-ylmethylcarbamoylamino)-3-methylbenzoic acid
CID 61209023
5-bromo-2-(1,4-dioxan-2-ylmethylcarbamoylamino)benzoic acid
CID 62073843
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(2-methoxyethoxy)phenyl]urea
CID 86841892
1-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2-phenoxyphenyl)urea
CID 95715396
1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912943
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[4-(4-methoxyphenyl)phenyl]urea
CID 125178084

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(2-phenoxyethoxy)phenyl]urea?
The IUPAC name of 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(2-phenoxyethoxy)phenyl]urea (CID 125167190) is 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(2-phenoxyethoxy)phenyl]urea.
What is the SMILES notation for 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(2-phenoxyethoxy)phenyl]urea?
The canonical SMILES for 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(2-phenoxyethoxy)phenyl]urea is O=C(NC[C@@H]1COCCO1)Nc1ccccc1OCCOc1ccccc1.
What is the InChIKey of 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(2-phenoxyethoxy)phenyl]urea?
The InChIKey is PRJJMBVXHUPFFV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N2O5/c23-20(21-14-17-15-24-10-11-26-17)22-18-8-4-5-9-19(18)27-13-12-25-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H2,21,22,23)/t17-/m1/s1.
What are the key properties of 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(2-phenoxyethoxy)phenyl]urea?
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(2-phenoxyethoxy)phenyl]urea has a molecular weight of 372.42 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(2-phenoxyethoxy)phenyl]urea is sourced from PubChem (CID 125167190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).