1,1-dimethyl-3-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]urea

C19H23N3O — CID 110443867

IUPAC1,1-dimethyl-3-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]urea
SMILESCN(C)C(=O)Nc1ccc2c(c1)CN(CCc1ccccc1)C2
InChIInChI=1S/C19H23N3O/c1-21(2)19(23)20-18-9-8-16-13-22(14-17(16)12-18)11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,23)
InChIKeyAOHYODCHWNKDGG-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.34
Rot. Bonds4

About 1,1-dimethyl-3-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]urea

1,1-dimethyl-3-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]urea (PubChem CID 110443867) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]urea
PubChem CID110443867
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1,1-dimethyl-3-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]urea
SMILESCN(C)C(=O)Nc1ccc2c(c1)CN(CCc1ccccc1)C2
InChIInChI=1S/C19H23N3O/c1-21(2)19(23)20-18-9-8-16-13-22(14-17(16)12-18)11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,23)
InChIKeyAOHYODCHWNKDGG-UHFFFAOYSA-N
XLogP3.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]urea (CID 110443867) is 1,1-dimethyl-3-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]urea is CN(C)C(=O)Nc1ccc2c(c1)CN(CCc1ccccc1)C2.
What is the InChIKey of 1,1-dimethyl-3-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]urea?
The InChIKey is AOHYODCHWNKDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21(2)19(23)20-18-9-8-16-13-22(14-17(16)12-18)11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,23).
What are the key properties of 1,1-dimethyl-3-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]urea?
1,1-dimethyl-3-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]urea has a molecular weight of 309.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]urea is sourced from PubChem (CID 110443867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).