1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea

C20H24N2O — CID 29057320

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
SMILESCC[C@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccc(C)cc1
InChIInChI=1S/C20H24N2O/c1-3-19(16-9-7-14(2)8-10-16)22-20(23)21-18-12-11-15-5-4-6-17(15)13-18/h7-13,19H,3-6H2,1-2H3,(H2,21,22,23)/t19-/m0/s1
InChIKeyDXTFURVZCUSFNJ-IBGZPJMESA-N
MW308.43 g/mol
LogP4.76
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea

1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea (PubChem CID 29057320) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
PubChem CID29057320
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
SMILESCC[C@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccc(C)cc1
InChIInChI=1S/C20H24N2O/c1-3-19(16-9-7-14(2)8-10-16)22-20(23)21-18-12-11-15-5-4-6-17(15)13-18/h7-13,19H,3-6H2,1-2H3,(H2,21,22,23)/t19-/m0/s1
InChIKeyDXTFURVZCUSFNJ-IBGZPJMESA-N
XLogP4.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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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-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea
CID 29057333
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-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 841933
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2-methylpyrazol-3-yl)propyl]urea
CID 124845668
1-(3-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 94841868
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-(4-propylphenyl)ethyl]urea
CID 29057331
N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide
CID 42704155
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7715119
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7570677

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea (CID 29057320) is 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea is CC[C@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccc(C)cc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea?
The InChIKey is DXTFURVZCUSFNJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-19(16-9-7-14(2)8-10-16)22-20(23)21-18-12-11-15-5-4-6-17(15)13-18/h7-13,19H,3-6H2,1-2H3,(H2,21,22,23)/t19-/m0/s1.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea?
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea has a molecular weight of 308.43 g/mol, XLogP of 4.76, 4 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-[(1S)-1-(4-methylphenyl)propyl]urea is sourced from PubChem (CID 29057320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).