1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea

C21H27N3O — CID 112820237

IUPAC1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea
SMILESCC(CNC(=O)NCCCc1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C21H27N3O/c1-17(24-15-13-19-11-5-6-12-20(19)24)16-23-21(25)22-14-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-12,17H,7,10,13-16H2,1H3,(H2,22,23,25)
InChIKeyQDNOPYIONCOENB-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.37
Rot. Bonds7

About 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea

1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea (PubChem CID 112820237) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea
PubChem CID112820237
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea
SMILESCC(CNC(=O)NCCCc1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C21H27N3O/c1-17(24-15-13-19-11-5-6-12-20(19)24)16-23-21(25)22-14-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-12,17H,7,10,13-16H2,1H3,(H2,22,23,25)
InChIKeyQDNOPYIONCOENB-UHFFFAOYSA-N
XLogP3.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111504884
(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide
CID 94028724
1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea
CID 99823439
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895780
1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-(2-methoxyphenyl)urea
CID 38887344
N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-phenylpropyl)oxamide
CID 7525363
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea
CID 78860902
1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea
CID 38887286
4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride
CID 120564829
2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide
CID 60550929
3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119953257
N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224185

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea (CID 112820237) is 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea is CC(CNC(=O)NCCCc1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea?
The InChIKey is QDNOPYIONCOENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-17(24-15-13-19-11-5-6-12-20(19)24)16-23-21(25)22-14-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-12,17H,7,10,13-16H2,1H3,(H2,22,23,25).
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea?
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea has a molecular weight of 337.47 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 112820237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).