1-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-hydroxypropyl)urea

C18H21N3O2 — CID 110891302

IUPAC1-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)Nc1ccccc1N1CCc2ccccc21
InChIInChI=1S/C18H21N3O2/c22-13-5-11-19-18(23)20-15-7-2-4-9-17(15)21-12-10-14-6-1-3-8-16(14)21/h1-4,6-9,22H,5,10-13H2,(H2,19,20,23)
InChIKeyHKXSTVGRRBSISC-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.88
Rot. Bonds5

About 1-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-hydroxypropyl)urea

1-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-hydroxypropyl)urea (PubChem CID 110891302) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-hydroxypropyl)urea
PubChem CID110891302
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)Nc1ccccc1N1CCc2ccccc21
InChIInChI=1S/C18H21N3O2/c22-13-5-11-19-18(23)20-15-7-2-4-9-17(15)21-12-10-14-6-1-3-8-16(14)21/h1-4,6-9,22H,5,10-13H2,(H2,19,20,23)
InChIKeyHKXSTVGRRBSISC-UHFFFAOYSA-N
XLogP2.88
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2,3-dihydroindol-1-yl)phenyl]carbamoylamino]butanoic acid
CID 122075877
(2S)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-ethoxypropanamide
CID 95667067
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 52710884
3-[2-(2,3-dihydroindol-1-yl)phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 84597316
1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea
CID 110890577
N-[2-(2,3-dihydroindol-1-yl)phenyl]furan-3-carboxamide
CID 43066807
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiophen-3-ylacetamide
CID 112820431
1-(5-hydroxypentyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108887689
1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55698993
1-hexyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 52594776
2-cyclopent-2-en-1-yl-N-[2-(2,3-dihydroindol-1-yl)phenyl]acetamide
CID 43066797
1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 23607928

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-hydroxypropyl)urea (CID 110891302) is 1-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-hydroxypropyl)urea is O=C(NCCCO)Nc1ccccc1N1CCc2ccccc21.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-hydroxypropyl)urea?
The InChIKey is HKXSTVGRRBSISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-13-5-11-19-18(23)20-15-7-2-4-9-17(15)21-12-10-14-6-1-3-8-16(14)21/h1-4,6-9,22H,5,10-13H2,(H2,19,20,23).
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-hydroxypropyl)urea?
1-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-hydroxypropyl)urea has a molecular weight of 311.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 110891302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).