3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea

C14H20N2O5 — CID 51324616

IUPAC3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O5/c1-18-7-5-16(6-8-19-2)14(17)15-11-3-4-12-13(9-11)21-10-20-12/h3-4,9H,5-8,10H2,1-2H3,(H,15,17)
InChIKeyRFLONDMFUCRWOP-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.54
Rot. Bonds7

About 3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea

3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea (PubChem CID 51324616) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea
PubChem CID51324616
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O5/c1-18-7-5-16(6-8-19-2)14(17)15-11-3-4-12-13(9-11)21-10-20-12/h3-4,9H,5-8,10H2,1-2H3,(H,15,17)
InChIKeyRFLONDMFUCRWOP-UHFFFAOYSA-N
XLogP1.54
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-1-propylthiourea
CID 3843614
3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea
CID 108893738
N-(2-aminophenyl)-4-[[1,3-benzodioxol-5-ylcarbamoyl(2-methoxyethyl)amino]methyl]benzamide
CID 58001118
[3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate
CID 108865269
3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-1-propylurea
CID 47022406
3-(1,3-benzodioxol-5-yl)-1-butyl-1-methylurea
CID 47135837
N-(1,3-benzodioxol-5-yl)-N'-[(2R)-1-methoxypropan-2-yl]oxamide
CID 41452981
1-(1,3-benzodioxol-5-ylcarbamoyl)-1,3-dimethylurea
CID 12876416
1,3-bis(1,3-benzodioxol-5-yl)-1-methylurea
CID 167788947
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea
CID 56825813
ethyl N-(2-aminoethyl)-N-(1,3-benzodioxol-5-ylcarbamoyl)carbamate
CID 108893798

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea (CID 51324616) is 3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea is COCCN(CCOC)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea?
The InChIKey is RFLONDMFUCRWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-18-7-5-16(6-8-19-2)14(17)15-11-3-4-12-13(9-11)21-10-20-12/h3-4,9H,5-8,10H2,1-2H3,(H,15,17).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea?
3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea has a molecular weight of 296.32 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea is sourced from PubChem (CID 51324616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).