1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea

C18H19N3O2 — CID 17485020

IUPAC1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
SMILESCC(=O)N1CCc2cc(NC(=O)Nc3ccc(C)cc3)ccc21
InChIInChI=1S/C18H19N3O2/c1-12-3-5-15(6-4-12)19-18(23)20-16-7-8-17-14(11-16)9-10-21(17)13(2)22/h3-8,11H,9-10H2,1-2H3,(H2,19,20,23)
InChIKeyAOSMRISDZQYECZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.55
Rot. Bonds2

About 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea

1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea (PubChem CID 17485020) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
PubChem CID17485020
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
SMILESCC(=O)N1CCc2cc(NC(=O)Nc3ccc(C)cc3)ccc21
InChIInChI=1S/C18H19N3O2/c1-12-3-5-15(6-4-12)19-18(23)20-16-7-8-17-14(11-16)9-10-21(17)13(2)22/h3-8,11H,9-10H2,1-2H3,(H2,19,20,23)
InChIKeyAOSMRISDZQYECZ-UHFFFAOYSA-N
XLogP3.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-dimethylbenzamide
CID 42424076
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea
CID 18101699
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-hydroxy-4-methylbenzamide
CID 35805071
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1-adamantyl)urea
CID 5296041
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-2-(methylamino)propanamide
CID 62836406
(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide
CID 43346617
1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea
CID 110358442
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea (CID 17485020) is 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea is CC(=O)N1CCc2cc(NC(=O)Nc3ccc(C)cc3)ccc21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea?
The InChIKey is AOSMRISDZQYECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-3-5-15(6-4-12)19-18(23)20-16-7-8-17-14(11-16)9-10-21(17)13(2)22/h3-8,11H,9-10H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea?
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea has a molecular weight of 309.37 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 17485020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).