1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea

C19H22N2O — CID 127044930

IUPAC1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)N[C@H]1CCc2ccccc21
InChIInChI=1S/C19H22N2O/c22-19(20-14-6-9-15-7-2-1-3-8-15)21-18-13-12-16-10-4-5-11-17(16)18/h1-5,7-8,10-11,18H,6,9,12-14H2,(H2,20,21,22)/t18-/m0/s1
InChIKeyMIIHKUJPUQIMIY-SFHVURJKSA-N
MW294.40 g/mol
LogP3.61
Rot. Bonds5

About 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea

1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea (PubChem CID 127044930) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea
PubChem CID127044930
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)N[C@H]1CCc2ccccc21
InChIInChI=1S/C19H22N2O/c22-19(20-14-6-9-15-7-2-1-3-8-15)21-18-13-12-16-10-4-5-11-17(16)18/h1-5,7-8,10-11,18H,6,9,12-14H2,(H2,20,21,22)/t18-/m0/s1
InChIKeyMIIHKUJPUQIMIY-SFHVURJKSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 72889
Irindalone
CID 65845
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CID 2818389
1-Benzyl-3-cyclohexylurea
CID 544877
N-(Diphenylmethyl)urea
CID 95253
1-Benzyl-3-(2-phenylethyl)urea
CID 3745478
1-Cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 4079580
Urea, 1-(2-chloroethyl)-3-(fluoren-9-yl)-
CID 293584
3-(9H-fluoren-9-yl)-1,1-dimethylurea
CID 950587
N-[(2-methylphenyl)(phenyl)methyl]urea
CID 2849790
4-Phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
CID 4310916
1-(2-{4-[3-(4-Fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethyl)-imidazolidin-2-one
CID 10319293

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea (CID 127044930) is 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea is O=C(NCCCc1ccccc1)N[C@H]1CCc2ccccc21.
What is the InChIKey of 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea?
The InChIKey is MIIHKUJPUQIMIY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O/c22-19(20-14-6-9-15-7-2-1-3-8-15)21-18-13-12-16-10-4-5-11-17(16)18/h1-5,7-8,10-11,18H,6,9,12-14H2,(H2,20,21,22)/t18-/m0/s1.
What are the key properties of 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea?
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea has a molecular weight of 294.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 127044930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).