1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea

C20H19N3O3 — CID 166428389

IUPAC1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea
SMILESCc1c([C@@H](C)NC(=O)Nc2ccc3c(c2)CNC3=O)oc2ccccc12
InChIInChI=1S/C20H19N3O3/c1-11-15-5-3-4-6-17(15)26-18(11)12(2)22-20(25)23-14-7-8-16-13(9-14)10-21-19(16)24/h3-9,12H,10H2,1-2H3,(H,21,24)(H2,22,23,25)/t12-/m1/s1
InChIKeyTXOJTUVAGAJOOW-GFCCVEGCSA-N
MW349.39 g/mol
LogP3.87
Rot. Bonds3

About 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea

1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea (PubChem CID 166428389) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea
PubChem CID166428389
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea
SMILESCc1c([C@@H](C)NC(=O)Nc2ccc3c(c2)CNC3=O)oc2ccccc12
InChIInChI=1S/C20H19N3O3/c1-11-15-5-3-4-6-17(15)26-18(11)12(2)22-20(25)23-14-7-8-16-13(9-14)10-21-19(16)24/h3-9,12H,10H2,1-2H3,(H,21,24)(H2,22,23,25)/t12-/m1/s1
InChIKeyTXOJTUVAGAJOOW-GFCCVEGCSA-N
XLogP3.87
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea with MolForge

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Related Compounds

1-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea
CID 166532367
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 167238820
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-[4-(5-oxopyrrolidin-2-yl)phenyl]urea
CID 166532452
N,N-dimethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
CID 166532128
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 112838345
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(6-methylsulfonyl-3-pyridinyl)urea
CID 166532279
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(3-methylspiro[1,3-benzoxazole-2,2'-oxirane]-6-yl)urea;molecular hydrogen
CID 166532607
2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide
CID 58181448
1-(3-methoxycyclobutyl)-3-[1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166532954
1-(4-methoxyoxolan-3-yl)-3-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166532863
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(3-methyloxetan-3-yl)urea
CID 166532779
1-[(5-methylfuran-2-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea
CID 162459049

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea?
The IUPAC name of 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea (CID 166428389) is 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea.
What is the SMILES notation for 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea?
The canonical SMILES for 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea is Cc1c([C@@H](C)NC(=O)Nc2ccc3c(c2)CNC3=O)oc2ccccc12.
What is the InChIKey of 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea?
The InChIKey is TXOJTUVAGAJOOW-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-11-15-5-3-4-6-17(15)26-18(11)12(2)22-20(25)23-14-7-8-16-13(9-14)10-21-19(16)24/h3-9,12H,10H2,1-2H3,(H,21,24)(H2,22,23,25)/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea?
1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea has a molecular weight of 349.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea is sourced from PubChem (CID 166428389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).