1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea

C19H19N3O3 — CID 60603738

IUPAC1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea
SMILESCC(NC(=O)NCc1cc2ccccc2[nH]1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H19N3O3/c1-12(13-6-7-17-18(9-13)25-11-24-17)21-19(23)20-10-15-8-14-4-2-3-5-16(14)22-15/h2-9,12,22H,10-11H2,1H3,(H2,20,21,23)
InChIKeyWPBMOTBLJRMFHI-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.46
Rot. Bonds4

About 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea

1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea (PubChem CID 60603738) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea
PubChem CID60603738
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea
SMILESCC(NC(=O)NCc1cc2ccccc2[nH]1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H19N3O3/c1-12(13-6-7-17-18(9-13)25-11-24-17)21-19(23)20-10-15-8-14-4-2-3-5-16(14)22-15/h2-9,12,22H,10-11H2,1H3,(H2,20,21,23)
InChIKeyWPBMOTBLJRMFHI-UHFFFAOYSA-N
XLogP3.46
TPSA75.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-benzylurea
CID 17457631
1-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
CID 95737457
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]urea
CID 60548780
1-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-butylurea
CID 27459871
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-naphthalen-1-yloxyethyl)urea
CID 60543898
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 51325897
N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51323962
1-(1,3-benzodioxol-5-ylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 127567236
1-(1,3-benzodioxol-5-ylmethyl)-3-[(1R)-1-(3,4-difluorophenyl)ethyl]urea
CID 27516317
1-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 38290576
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 55750628
1-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 94039006

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea?
The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea (CID 60603738) is 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea.
What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea?
The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea is CC(NC(=O)NCc1cc2ccccc2[nH]1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea?
The InChIKey is WPBMOTBLJRMFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(13-6-7-17-18(9-13)25-11-24-17)21-19(23)20-10-15-8-14-4-2-3-5-16(14)22-15/h2-9,12,22H,10-11H2,1H3,(H2,20,21,23).
What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea?
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea has a molecular weight of 337.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea is sourced from PubChem (CID 60603738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).