1-[2-(diethylamino)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea

C15H23N3O3 — CID 60545632

IUPAC1-[2-(diethylamino)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea
SMILESCCN(CC)CCNC(=O)Nc1cccc2c1OCCO2
InChIInChI=1S/C15H23N3O3/c1-3-18(4-2)9-8-16-15(19)17-12-6-5-7-13-14(12)21-11-10-20-13/h5-7H,3-4,8-11H2,1-2H3,(H2,16,17,19)
InChIKeyJKRMZPZIOVFSJT-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.92
Rot. Bonds6

About 1-[2-(diethylamino)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea

1-[2-(diethylamino)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea (PubChem CID 60545632) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea
PubChem CID60545632
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[2-(diethylamino)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea
SMILESCCN(CC)CCNC(=O)Nc1cccc2c1OCCO2
InChIInChI=1S/C15H23N3O3/c1-3-18(4-2)9-8-16-15(19)17-12-6-5-7-13-14(12)21-11-10-20-13/h5-7H,3-4,8-11H2,1-2H3,(H2,16,17,19)
InChIKeyJKRMZPZIOVFSJT-UHFFFAOYSA-N
XLogP1.92
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 60544080
1-[2-(diethylamino)ethyl]-3-(2-iodophenyl)urea
CID 108868960
2-chloro-6-[2-(diethylamino)ethylcarbamoylamino]benzoic acid
CID 63723802
3-(1,3-benzodioxol-4-ylcarbamoylamino)propanoic acid
CID 122089295
1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea
CID 110874645
N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-7-yl)acetamide
CID 15033690
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 60543221
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyiminoacetamide
CID 175477457
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea
CID 126768808
1-[2-(diethylamino)ethyl]-3-(3-fluorophenyl)urea
CID 44755798
4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 56816667
5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 47062073

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea (CID 60545632) is 1-[2-(diethylamino)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea is CCN(CC)CCNC(=O)Nc1cccc2c1OCCO2.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea?
The InChIKey is JKRMZPZIOVFSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-18(4-2)9-8-16-15(19)17-12-6-5-7-13-14(12)21-11-10-20-13/h5-7H,3-4,8-11H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[2-(diethylamino)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea?
1-[2-(diethylamino)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea has a molecular weight of 293.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea is sourced from PubChem (CID 60545632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).