1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea

C19H20N2O3 — CID 108905601

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
SMILESCc1cccc(/C=C/NC(=O)NCC2COc3ccccc3O2)c1
InChIInChI=1S/C19H20N2O3/c1-14-5-4-6-15(11-14)9-10-20-19(22)21-12-16-13-23-17-7-2-3-8-18(17)24-16/h2-11,16H,12-13H2,1H3,(H2,20,21,22)/b10-9+
InChIKeyLNVIADMDBOBWHD-MDZDMXLPSA-N
MW324.38 g/mol
LogP3.10
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea (PubChem CID 108905601) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
PubChem CID108905601
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
SMILESCc1cccc(/C=C/NC(=O)NCC2COc3ccccc3O2)c1
InChIInChI=1S/C19H20N2O3/c1-14-5-4-6-15(11-14)9-10-20-19(22)21-12-16-13-23-17-7-2-3-8-18(17)24-16/h2-11,16H,12-13H2,1H3,(H2,20,21,22)/b10-9+
InChIKeyLNVIADMDBOBWHD-MDZDMXLPSA-N
XLogP3.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylbenzamide
CID 7758589
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-methylphenyl)propanamide
CID 51276920
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea
CID 108914844
(E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylprop-2-enamide
CID 5337464
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870838
(E)-3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)prop-2-enamide
CID 17416536
[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] 3-methylbenzoate
CID 7560338
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,5-dimethylbenzamide
CID 7758543
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 47134289
[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 7434232
(2S)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-methylphenoxy)butanamide
CID 100580158
[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 7433298

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea (CID 108905601) is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea is Cc1cccc(/C=C/NC(=O)NCC2COc3ccccc3O2)c1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The InChIKey is LNVIADMDBOBWHD-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14-5-4-6-15(11-14)9-10-20-19(22)21-12-16-13-23-17-7-2-3-8-18(17)24-16/h2-11,16H,12-13H2,1H3,(H2,20,21,22)/b10-9+.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea has a molecular weight of 324.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea is sourced from PubChem (CID 108905601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).