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

C21H27N3O2 — CID 5296041

IUPAC1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1-adamantyl)urea
SMILESCC(=O)N1CCc2cc(NC(=O)NC34CC5CC(CC(C5)C3)C4)ccc21
InChIInChI=1S/C21H27N3O2/c1-13(25)24-5-4-17-9-18(2-3-19(17)24)22-20(26)23-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,14-16H,4-8,10-12H2,1H3,(H2,22,23,26)
InChIKeyCEKXESSRBAUJTK-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.69
Rot. Bonds2

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

1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1-adamantyl)urea (PubChem CID 5296041) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1-adamantyl)urea.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1-adamantyl)urea
PubChem CID5296041
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1-adamantyl)urea
SMILESCC(=O)N1CCc2cc(NC(=O)NC34CC5CC(CC(C5)C3)C4)ccc21
InChIInChI=1S/C21H27N3O2/c1-13(25)24-5-4-17-9-18(2-3-19(17)24)22-20(26)23-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,14-16H,4-8,10-12H2,1H3,(H2,22,23,26)
InChIKeyCEKXESSRBAUJTK-UHFFFAOYSA-N
XLogP3.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide
CID 17467776
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea
CID 18101699
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
CID 115452391
3-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 42930497
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-2-(methylamino)propanamide
CID 62836406
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide
CID 119271757
1-(1-adamantyl)-3-(4-bromo-3-methylphenyl)urea
CID 108896079
1-[5-(cyclopentylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684604

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1-adamantyl)urea?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1-adamantyl)urea (CID 5296041) is 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1-adamantyl)urea.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1-adamantyl)urea?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1-adamantyl)urea is CC(=O)N1CCc2cc(NC(=O)NC34CC5CC(CC(C5)C3)C4)ccc21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1-adamantyl)urea?
The InChIKey is CEKXESSRBAUJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-13(25)24-5-4-17-9-18(2-3-19(17)24)22-20(26)23-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,14-16H,4-8,10-12H2,1H3,(H2,22,23,26).
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1-adamantyl)urea?
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1-adamantyl)urea has a molecular weight of 353.47 g/mol, XLogP of 3.69, 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-(1-adamantyl)urea is sourced from PubChem (CID 5296041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).