1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea

C20H24N2O4 — CID 113216860

IUPAC1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NC(C)(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H24N2O4/c1-13-5-7-16(24-4)15(11-13)21-19(23)22-20(2,3)14-6-8-17-18(12-14)26-10-9-25-17/h5-8,11-12H,9-10H2,1-4H3,(H2,21,22,23)
InChIKeyWEZQAMZYZLVYQG-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.83
Rot. Bonds4

About 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 113216860) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID113216860
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NC(C)(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H24N2O4/c1-13-5-7-16(24-4)15(11-13)21-19(23)22-20(2,3)14-6-8-17-18(12-14)26-10-9-25-17/h5-8,11-12H,9-10H2,1-4H3,(H2,21,22,23)
InChIKeyWEZQAMZYZLVYQG-UHFFFAOYSA-N
XLogP3.83
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea
CID 113216857
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 37344996
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 113216793
1-(1,3-benzodioxol-5-yl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea
CID 113216884
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2579975
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 113091617
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate
CID 8737434
N-(2-methoxy-5-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7778280
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
CID 111976234
2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 47064346
1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915032
1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-(2,3-dimethylphenyl)urea
CID 113216665

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea (CID 113216860) is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)NC(C)(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is WEZQAMZYZLVYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13-5-7-16(24-4)15(11-13)21-19(23)22-20(2,3)14-6-8-17-18(12-14)26-10-9-25-17/h5-8,11-12H,9-10H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea?
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 356.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 113216860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).