N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide

C21H26N2O2 — CID 17467776

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21
InChIInChI=1S/C21H26N2O2/c1-13(24)23-5-4-17-9-18(2-3-19(17)23)22-20(25)21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,14-16H,4-8,10-12H2,1H3,(H,22,25)
InChIKeyZVOGJTHDJLQLFB-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.75
Rot. Bonds2

About N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide (PubChem CID 17467776) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide
PubChem CID17467776
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21
InChIInChI=1S/C21H26N2O2/c1-13(24)23-5-4-17-9-18(2-3-19(17)23)22-20(25)21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,14-16H,4-8,10-12H2,1H3,(H,22,25)
InChIKeyZVOGJTHDJLQLFB-UHFFFAOYSA-N
XLogP3.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1-adamantyl)urea
CID 5296041
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
CID 115452391
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide
CID 119271757
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methylpyrrolidine-3-carboxamide
CID 63139280
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119690426
N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]adamantane-1-carboxamide
CID 16943083
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)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 33307145
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

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide (CID 17467776) is N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide is CC(=O)N1CCc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide?
The InChIKey is ZVOGJTHDJLQLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-13(24)23-5-4-17-9-18(2-3-19(17)23)22-20(25)21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,14-16H,4-8,10-12H2,1H3,(H,22,25).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide is sourced from PubChem (CID 17467776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).