N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide

C14H20N2O — CID 110485487

IUPACN-butyl-1-methyl-2,3-dihydroindole-5-carboxamide
SMILESCCCCNC(=O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C14H20N2O/c1-3-4-8-15-14(17)12-5-6-13-11(10-12)7-9-16(13)2/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,17)
InChIKeyFDXHZJSLANBHKO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.21
Rot. Bonds4

About N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide

N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide (PubChem CID 110485487) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-1-methyl-2,3-dihydroindole-5-carboxamide
PubChem CID110485487
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-butyl-1-methyl-2,3-dihydroindole-5-carboxamide
SMILESCCCCNC(=O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C14H20N2O/c1-3-4-8-15-14(17)12-5-6-13-11(10-12)7-9-16(13)2/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,17)
InChIKeyFDXHZJSLANBHKO-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485516
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156
N-[2-(2-hydroxyethoxy)ethyl]-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485493
N-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 110485916
sodium 6-(butylcarbamoyl)-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylate
CID 20618908
N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608850
N-butyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 67547921
1-(4-chlorophenyl)sulfonyl-N-pentyl-2,3-dihydroindole-5-carboxamide
CID 23608866
methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate
CID 110485913
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
N-(1-ethyl-2,3-dihydroindol-6-yl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 154840394
1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119259944

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide (CID 110485487) is N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide is CCCCNC(=O)c1ccc2c(c1)CCN2C.
What is the InChIKey of N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is FDXHZJSLANBHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-4-8-15-14(17)12-5-6-13-11(10-12)7-9-16(13)2/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,17).
What are the key properties of N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide?
N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 110485487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).