N-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide

C19H26N2O2 — CID 53159922

IUPACN-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide
SMILESCCC(=O)N1CCc2c(C(=O)NCC3CCCCC3)cccc21
InChIInChI=1S/C19H26N2O2/c1-2-18(22)21-12-11-15-16(9-6-10-17(15)21)19(23)20-13-14-7-4-3-5-8-14/h6,9-10,14H,2-5,7-8,11-13H2,1H3,(H,20,23)
InChIKeyRIWBUTLFIPQORH-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.30
Rot. Bonds4

About N-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide

N-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide (PubChem CID 53159922) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide
PubChem CID53159922
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide
SMILESCCC(=O)N1CCc2c(C(=O)NCC3CCCCC3)cccc21
InChIInChI=1S/C19H26N2O2/c1-2-18(22)21-12-11-15-16(9-6-10-17(15)21)19(23)20-13-14-7-4-3-5-8-14/h6,9-10,14H,2-5,7-8,11-13H2,1H3,(H,20,23)
InChIKeyRIWBUTLFIPQORH-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159918
N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159946
1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide
CID 53159962
N-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159955
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551
N-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide
CID 53159991
1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide
CID 53159942
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
1-(cyclobutylmethylcarbamoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61199124
N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848215
2,3-dichloro-N-(cyclohexylmethyl)benzamide
CID 23019884
N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide
CID 67190094

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide (CID 53159922) is N-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide is CCC(=O)N1CCc2c(C(=O)NCC3CCCCC3)cccc21.
What is the InChIKey of N-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide?
The InChIKey is RIWBUTLFIPQORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-18(22)21-12-11-15-16(9-6-10-17(15)21)19(23)20-13-14-7-4-3-5-8-14/h6,9-10,14H,2-5,7-8,11-13H2,1H3,(H,20,23).
What are the key properties of N-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide?
N-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 53159922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).