1-hydroxy-3-methyl-1-(1-phenyl-2,3-dihydroindol-5-yl)urea

C16H17N3O2 — CID 151533413

IUPAC1-hydroxy-3-methyl-1-(1-phenyl-2,3-dihydroindol-5-yl)urea
SMILESCNC(=O)N(O)c1ccc2c(c1)CCN2c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-17-16(20)19(21)14-7-8-15-12(11-14)9-10-18(15)13-5-3-2-4-6-13/h2-8,11,21H,9-10H2,1H3,(H,17,20)
InChIKeyPWYLWUMYHRFHTI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.92
Rot. Bonds2

About 1-hydroxy-3-methyl-1-(1-phenyl-2,3-dihydroindol-5-yl)urea

1-hydroxy-3-methyl-1-(1-phenyl-2,3-dihydroindol-5-yl)urea (PubChem CID 151533413) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-1-(1-phenyl-2,3-dihydroindol-5-yl)urea.

Molecular Properties

Compound Name1-hydroxy-3-methyl-1-(1-phenyl-2,3-dihydroindol-5-yl)urea
PubChem CID151533413
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-hydroxy-3-methyl-1-(1-phenyl-2,3-dihydroindol-5-yl)urea
SMILESCNC(=O)N(O)c1ccc2c(c1)CCN2c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-17-16(20)19(21)14-7-8-15-12(11-14)9-10-18(15)13-5-3-2-4-6-13/h2-8,11,21H,9-10H2,1H3,(H,17,20)
InChIKeyPWYLWUMYHRFHTI-UHFFFAOYSA-N
XLogP2.92
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-3-methyl-1-[1-[(3-phenoxyphenyl)methyl]-2,3-dihydroindol-5-yl]urea
CID 151395659
methyl 4-[5-[(E)-2-phenylethenyl]-2,3-dihydroindol-1-yl]benzoate
CID 101353795
(1-phenyl-2,3-dihydroindol-5-yl) N-(4-propan-2-ylphenyl)carbamate
CID 86659883
1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone
CID 110454978
1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 110454560
methyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate
CID 82538053
3-(2,3-dihydroindol-1-yl)-N,N-dimethylaniline
CID 110454992
2-[4-oxo-5-[(1-phenyl-2,3-dihydroindol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 76652371
tert-butyl 5-[benzoyl(methyl)amino]-2,3-dihydroindole-1-carboxylate
CID 66891736
4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109219625
4-[3-[1-[4-(dimethylamino)phenyl]-3,4-dihydro-2H-quinolin-6-yl]propa-1,2-dienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid
CID 91199309
2-[(3,5-dichlorophenyl)sulfonyl-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)amino]acetic acid
CID 59277459

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methyl-1-(1-phenyl-2,3-dihydroindol-5-yl)urea?
The IUPAC name of 1-hydroxy-3-methyl-1-(1-phenyl-2,3-dihydroindol-5-yl)urea (CID 151533413) is 1-hydroxy-3-methyl-1-(1-phenyl-2,3-dihydroindol-5-yl)urea.
What is the SMILES notation for 1-hydroxy-3-methyl-1-(1-phenyl-2,3-dihydroindol-5-yl)urea?
The canonical SMILES for 1-hydroxy-3-methyl-1-(1-phenyl-2,3-dihydroindol-5-yl)urea is CNC(=O)N(O)c1ccc2c(c1)CCN2c1ccccc1.
What is the InChIKey of 1-hydroxy-3-methyl-1-(1-phenyl-2,3-dihydroindol-5-yl)urea?
The InChIKey is PWYLWUMYHRFHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-17-16(20)19(21)14-7-8-15-12(11-14)9-10-18(15)13-5-3-2-4-6-13/h2-8,11,21H,9-10H2,1H3,(H,17,20).
What are the key properties of 1-hydroxy-3-methyl-1-(1-phenyl-2,3-dihydroindol-5-yl)urea?
1-hydroxy-3-methyl-1-(1-phenyl-2,3-dihydroindol-5-yl)urea has a molecular weight of 283.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-1-(1-phenyl-2,3-dihydroindol-5-yl)urea is sourced from PubChem (CID 151533413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).