1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea

C22H28N2O — CID 29057333

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea
SMILESCC[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccc(C(C)C)cc1
InChIInChI=1S/C22H28N2O/c1-4-21(18-10-8-16(9-11-18)15(2)3)24-22(25)23-20-13-12-17-6-5-7-19(17)14-20/h8-15,21H,4-7H2,1-3H3,(H2,23,24,25)/t21-/m1/s1
InChIKeyLGGJQEQFXWRKLF-OAQYLSRUSA-N
MW336.48 g/mol
LogP5.57
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea

1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea (PubChem CID 29057333) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea
PubChem CID29057333
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea
SMILESCC[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccc(C(C)C)cc1
InChIInChI=1S/C22H28N2O/c1-4-21(18-10-8-16(9-11-18)15(2)3)24-22(25)23-20-13-12-17-6-5-7-19(17)14-20/h8-15,21H,4-7H2,1-3H3,(H2,23,24,25)/t21-/m1/s1
InChIKeyLGGJQEQFXWRKLF-OAQYLSRUSA-N
XLogP5.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea with MolForge

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-3-[1-(4-methylphenyl)propyl]urea
CID 17249377
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 29057320
1-phenyl-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975074
1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975075
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-propylphenyl)ethyl]urea
CID 29057331
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea
CID 124845668
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(3,4-dimethylphenyl)ethyl]urea
CID 28914051
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 29039496
(2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid
CID 78976000
2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-hydroxybutanoic acid
CID 61183883
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea
CID 17282136

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea (CID 29057333) is 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea is CC[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea?
The InChIKey is LGGJQEQFXWRKLF-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N2O/c1-4-21(18-10-8-16(9-11-18)15(2)3)24-22(25)23-20-13-12-17-6-5-7-19(17)14-20/h8-15,21H,4-7H2,1-3H3,(H2,23,24,25)/t21-/m1/s1.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea?
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea has a molecular weight of 336.48 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea is sourced from PubChem (CID 29057333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).