N-(1-acetyl-2,3-dihydroindol-5-yl)-4-tert-butylcyclohexane-1-carboxamide

C21H30N2O2 — CID 24637683

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-4-tert-butylcyclohexane-1-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)C3CCC(C(C)(C)C)CC3)ccc21
InChIInChI=1S/C21H30N2O2/c1-14(24)23-12-11-16-13-18(9-10-19(16)23)22-20(25)15-5-7-17(8-6-15)21(2,3)4/h9-10,13,15,17H,5-8,11-12H2,1-4H3,(H,22,25)
InChIKeyQOHVRIXZIAETFQ-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.39
Rot. Bonds2

About N-(1-acetyl-2,3-dihydroindol-5-yl)-4-tert-butylcyclohexane-1-carboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-4-tert-butylcyclohexane-1-carboxamide (PubChem CID 24637683) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-tert-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-tert-butylcyclohexane-1-carboxamide
PubChem CID24637683
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-tert-butylcyclohexane-1-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)C3CCC(C(C)(C)C)CC3)ccc21
InChIInChI=1S/C21H30N2O2/c1-14(24)23-12-11-16-13-18(9-10-19(16)23)22-20(25)15-5-7-17(8-6-15)21(2,3)4/h9-10,13,15,17H,5-8,11-12H2,1-4H3,(H,22,25)
InChIKeyQOHVRIXZIAETFQ-UHFFFAOYSA-N
XLogP4.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
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N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
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CID 42930497
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CID 7656708
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
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CID 43684604
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CID 66240222
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 26923126
N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide
CID 130404848
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-tert-butylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-tert-butylcyclohexane-1-carboxamide (CID 24637683) is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-tert-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-tert-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-tert-butylcyclohexane-1-carboxamide is CC(=O)N1CCc2cc(NC(=O)C3CCC(C(C)(C)C)CC3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-tert-butylcyclohexane-1-carboxamide?
The InChIKey is QOHVRIXZIAETFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-14(24)23-12-11-16-13-18(9-10-19(16)23)22-20(25)15-5-7-17(8-6-15)21(2,3)4/h9-10,13,15,17H,5-8,11-12H2,1-4H3,(H,22,25).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-tert-butylcyclohexane-1-carboxamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-tert-butylcyclohexane-1-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 4.39, 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)-4-tert-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 24637683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).