1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea

C21H23N3O2 — CID 51325904

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)NC1CCc2ccccc21
InChIInChI=1S/C21H23N3O2/c25-20-6-3-13-24(20)17-10-7-15(8-11-17)14-22-21(26)23-19-12-9-16-4-1-2-5-18(16)19/h1-2,4-5,7-8,10-11,19H,3,6,9,12-14H2,(H2,22,23,26)
InChIKeyPOVZILICQFMKJG-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.30
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea

1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea (PubChem CID 51325904) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
PubChem CID51325904
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)NC1CCc2ccccc21
InChIInChI=1S/C21H23N3O2/c25-20-6-3-13-24(20)17-10-7-15(8-11-17)14-22-21(26)23-19-12-9-16-4-1-2-5-18(16)19/h1-2,4-5,7-8,10-11,19H,3,6,9,12-14H2,(H2,22,23,26)
InChIKeyPOVZILICQFMKJG-UHFFFAOYSA-N
XLogP3.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea with MolForge

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Related Compounds

N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51273786
1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124839022
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40794777
1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 60580789
2-hydroxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 110013970
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 94021346
N-methyl-4-[(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]benzamide
CID 134006297
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 55472850
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea
CID 57264395
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea (CID 51325904) is 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea is O=C(NCc1ccc(N2CCCC2=O)cc1)NC1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The InChIKey is POVZILICQFMKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20-6-3-13-24(20)17-10-7-15(8-11-17)14-22-21(26)23-19-12-9-16-4-1-2-5-18(16)19/h1-2,4-5,7-8,10-11,19H,3,6,9,12-14H2,(H2,22,23,26).
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea has a molecular weight of 349.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea is sourced from PubChem (CID 51325904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).