1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(2-methoxyethoxymethyl)phenyl]urea

C20H24N2O5 — CID 51118838

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(2-methoxyethoxymethyl)phenyl]urea
SMILESCOCCOCc1cccc(NC(=O)NCC2COc3ccccc3O2)c1
InChIInChI=1S/C20H24N2O5/c1-24-9-10-25-13-15-5-4-6-16(11-15)22-20(23)21-12-17-14-26-18-7-2-3-8-19(18)27-17/h2-8,11,17H,9-10,12-14H2,1H3,(H2,21,22,23)
InChIKeyOUJSWQQPXDEMPX-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.81
Rot. Bonds8

About 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(2-methoxyethoxymethyl)phenyl]urea

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(2-methoxyethoxymethyl)phenyl]urea (PubChem CID 51118838) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(2-methoxyethoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(2-methoxyethoxymethyl)phenyl]urea
PubChem CID51118838
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(2-methoxyethoxymethyl)phenyl]urea
SMILESCOCCOCc1cccc(NC(=O)NCC2COc3ccccc3O2)c1
InChIInChI=1S/C20H24N2O5/c1-24-9-10-25-13-15-5-4-6-16(11-15)22-20(23)21-12-17-14-26-18-7-2-3-8-19(18)27-17/h2-8,11,17H,9-10,12-14H2,1H3,(H2,21,22,23)
InChIKeyOUJSWQQPXDEMPX-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea
CID 4738249
1-(3-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea
CID 108870211
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-nitrophenyl)urea
CID 39972974
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2-methoxyphenyl)urea
CID 51168449
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-pyridin-3-ylurea
CID 40954267
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875391
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N',N'-bis(2-methoxyethyl)oxamide
CID 108528652
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 38230150
1-benzamido-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]urea
CID 38169413
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2-phenylethyl)urea
CID 51290930
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea
CID 166206040
1-(2-chloro-6-fluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea
CID 108896647

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(2-methoxyethoxymethyl)phenyl]urea?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(2-methoxyethoxymethyl)phenyl]urea (CID 51118838) is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(2-methoxyethoxymethyl)phenyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(2-methoxyethoxymethyl)phenyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(2-methoxyethoxymethyl)phenyl]urea is COCCOCc1cccc(NC(=O)NCC2COc3ccccc3O2)c1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(2-methoxyethoxymethyl)phenyl]urea?
The InChIKey is OUJSWQQPXDEMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-24-9-10-25-13-15-5-4-6-16(11-15)22-20(23)21-12-17-14-26-18-7-2-3-8-19(18)27-17/h2-8,11,17H,9-10,12-14H2,1H3,(H2,21,22,23).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(2-methoxyethoxymethyl)phenyl]urea?
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(2-methoxyethoxymethyl)phenyl]urea has a molecular weight of 372.42 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(2-methoxyethoxymethyl)phenyl]urea is sourced from PubChem (CID 51118838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).