3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea

C16H22N2O4 — CID 91914988

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea
SMILESCN(CC1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22N2O4/c1-18(11-12-4-6-20-7-5-12)16(19)17-13-2-3-14-15(10-13)22-9-8-21-14/h2-3,10,12H,4-9,11H2,1H3,(H,17,19)
InChIKeyOYAJXRWYOAWMCC-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.35
Rot. Bonds3

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea (PubChem CID 91914988) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea
PubChem CID91914988
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea
SMILESCN(CC1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22N2O4/c1-18(11-12-4-6-20-7-5-12)16(19)17-13-2-3-14-15(10-13)22-9-8-21-14/h2-3,10,12H,4-9,11H2,1H3,(H,17,19)
InChIKeyOYAJXRWYOAWMCC-UHFFFAOYSA-N
XLogP2.35
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea
CID 110875739
3-(3-chloro-4-methoxyphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914983
3-[2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl(methyl)amino]propanoic acid
CID 61185392
3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905258
N-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)acetamide
CID 771593
3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905253
N-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)acetamide
CID 3943211
N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-1-propylurea
CID 47022406
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
CID 138998359
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
CID 82127722
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[ethyl(oxolan-3-ylmethyl)amino]acetamide
CID 60502282

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea (CID 91914988) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea is CN(CC1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea?
The InChIKey is OYAJXRWYOAWMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-18(11-12-4-6-20-7-5-12)16(19)17-13-2-3-14-15(10-13)22-9-8-21-14/h2-3,10,12H,4-9,11H2,1H3,(H,17,19).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea has a molecular weight of 306.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 91914988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).