N-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide

C20H30N2O3 — CID 111485199

IUPACN-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)NCC(C)(O)CCC(C)C)ccc21
InChIInChI=1S/C20H30N2O3/c1-5-18(23)22-11-9-15-12-16(6-7-17(15)22)19(24)21-13-20(4,25)10-8-14(2)3/h6-7,12,14,25H,5,8-11,13H2,1-4H3,(H,21,24)
InChIKeyJBXIWUIJZACKEV-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.90
Rot. Bonds7

About N-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 111485199) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID111485199
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)NCC(C)(O)CCC(C)C)ccc21
InChIInChI=1S/C20H30N2O3/c1-5-18(23)22-11-9-15-12-16(6-7-17(15)22)19(24)21-13-20(4,25)10-8-14(2)3/h6-7,12,14,25H,5,8-11,13H2,1-4H3,(H,21,24)
InChIKeyJBXIWUIJZACKEV-UHFFFAOYSA-N
XLogP2.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111447607
N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787282
N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 51959111
N-(3-methyl-2-morpholin-4-ylbutyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55788763
N-[(1-hydroxycyclohexyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111446079
N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047847
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 46490523
3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 110025600
N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55790102
N-[(6-methyl-2-pyridinyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 87041730
N-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55788549
1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 30886490

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 111485199) is N-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)NCC(C)(O)CCC(C)C)ccc21.
What is the InChIKey of N-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is JBXIWUIJZACKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-5-18(23)22-11-9-15-12-16(6-7-17(15)22)19(24)21-13-20(4,25)10-8-14(2)3/h6-7,12,14,25H,5,8-11,13H2,1-4H3,(H,21,24).
What are the key properties of N-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 111485199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).