N-[2-(4-methylphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide

C18H26N2O — CID 86962871

IUPACN-[2-(4-methylphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
SMILESCc1ccc(CCNC(=O)N2CCC3CCCCC32)cc1
InChIInChI=1S/C18H26N2O/c1-14-6-8-15(9-7-14)10-12-19-18(21)20-13-11-16-4-2-3-5-17(16)20/h6-9,16-17H,2-5,10-13H2,1H3,(H,19,21)
InChIKeyMEHIJCWEARXDLE-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.51
Rot. Bonds3

About N-[2-(4-methylphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide

N-[2-(4-methylphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide (PubChem CID 86962871) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
PubChem CID86962871
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[2-(4-methylphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
SMILESCc1ccc(CCNC(=O)N2CCC3CCCCC32)cc1
InChIInChI=1S/C18H26N2O/c1-14-6-8-15(9-7-14)10-12-19-18(21)20-13-11-16-4-2-3-5-17(16)20/h6-9,16-17H,2-5,10-13H2,1H3,(H,19,21)
InChIKeyMEHIJCWEARXDLE-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599238
(2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide
CID 124670162
2-(4-methylphenyl)-N-(2-phenylethyl)azepane-1-carboxamide
CID 53013117
(3aR,7aR)-N-(2-tert-butylsulfonylethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 95968830
N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 82086575
2-[2-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonylamino)ethoxy]acetic acid
CID 82750342
(3aR,7aR)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 97010506
(4aR,8aS)-N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 124622578
N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599234
N-[2-(3-chloropyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-cyclopentylazetidine-1-carboxamide
CID 138019255
4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 108891161
N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 43835525

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide (CID 86962871) is N-[2-(4-methylphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide is Cc1ccc(CCNC(=O)N2CCC3CCCCC32)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The InChIKey is MEHIJCWEARXDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-6-8-15(9-7-14)10-12-19-18(21)20-13-11-16-4-2-3-5-17(16)20/h6-9,16-17H,2-5,10-13H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
N-[2-(4-methylphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide is sourced from PubChem (CID 86962871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).