1-benzyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea

C19H22N2O2 — CID 91631370

IUPAC1-benzyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea
SMILESCOC1(CNC(=O)NCc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C19H22N2O2/c1-23-19(11-16-9-5-6-10-17(16)12-19)14-21-18(22)20-13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,20,21,22)
InChIKeyXYPNKFVNRMHASJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.67
Rot. Bonds5

About 1-benzyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea

1-benzyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea (PubChem CID 91631370) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-benzyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea
PubChem CID91631370
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-benzyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea
SMILESCOC1(CNC(=O)NCc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C19H22N2O2/c1-23-19(11-16-9-5-6-10-17(16)12-19)14-21-18(22)20-13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,20,21,22)
InChIKeyXYPNKFVNRMHASJ-UHFFFAOYSA-N
XLogP2.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-3-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 91631375
1-benzyl-3-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 91631247
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)pivalamide
CID 91631261
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-2-methylbenzamide
CID 91631268
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-2-oxoimidazolidine-1-carboxamide
CID 91631319
1-(tert-butyl)-3-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 91631367
9H-fluoren-9-ylmethyl N-[(1S)-1-(benzylcarbamoylamino)ethyl]carbamate
CID 135027299
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 86973271
1-(4-fluorobenzyl)-3-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)urea
CID 90499226
1-(4-fluorobenzyl)-3-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 92125615
N1-(4-fluorobenzyl)-N2-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)oxalamide
CID 92125942
1-(4-fluorophenyl)-3-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 92126003

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea?
The IUPAC name of 1-benzyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea (CID 91631370) is 1-benzyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea?
The canonical SMILES for 1-benzyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea is COC1(CNC(=O)NCc2ccccc2)Cc2ccccc2C1.
What is the InChIKey of 1-benzyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea?
The InChIKey is XYPNKFVNRMHASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-19(11-16-9-5-6-10-17(16)12-19)14-21-18(22)20-13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,20,21,22).
What are the key properties of 1-benzyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea?
1-benzyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea has a molecular weight of 310.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea is sourced from PubChem (CID 91631370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).