3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea

C19H23N3O3 — CID 6734633

IUPAC3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
SMILESCCN(CCc1ccccn1)C(=O)NCC1COc2ccccc2O1
InChIInChI=1S/C19H23N3O3/c1-2-22(12-10-15-7-5-6-11-20-15)19(23)21-13-16-14-24-17-8-3-4-9-18(17)25-16/h3-9,11,16H,2,10,12-14H2,1H3,(H,21,23)
InChIKeyKSMGLIVWEIUZTF-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.50
Rot. Bonds6

About 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea

3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea (PubChem CID 6734633) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
PubChem CID6734633
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
SMILESCCN(CCc1ccccn1)C(=O)NCC1COc2ccccc2O1
InChIInChI=1S/C19H23N3O3/c1-2-22(12-10-15-7-5-6-11-20-15)19(23)21-13-16-14-24-17-8-3-4-9-18(17)25-16/h3-9,11,16H,2,10,12-14H2,1H3,(H,21,23)
InChIKeyKSMGLIVWEIUZTF-UHFFFAOYSA-N
XLogP2.50
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyridine-2-carboxamide
CID 47005050
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N'-pyridin-2-yloxamide
CID 7097724
1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
CID 115583070
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] pyridine-2-carboxylate
CID 18171369
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94172078
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-propylpyridine-2-carboxamide
CID 94332608
[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] N,N-diethylcarbamodithioate
CID 8681376
3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 98232521
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N',N'-bis(2-methoxyethyl)oxamide
CID 108528652
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047807
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(methylamino)acetamide
CID 60686684

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea (CID 6734633) is 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea is CCN(CCc1ccccn1)C(=O)NCC1COc2ccccc2O1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea?
The InChIKey is KSMGLIVWEIUZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-22(12-10-15-7-5-6-11-20-15)19(23)21-13-16-14-24-17-8-3-4-9-18(17)25-16/h3-9,11,16H,2,10,12-14H2,1H3,(H,21,23).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea?
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea has a molecular weight of 341.41 g/mol, XLogP of 2.50, 6 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-3-ylmethyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 6734633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).