N-pentyl-2,3-dihydro-1H-indole-5-carboxamide

C14H20N2O — CID 43142455

IUPACN-pentyl-2,3-dihydro-1H-indole-5-carboxamide
SMILESCCCCCNC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H20N2O/c1-2-3-4-8-16-14(17)12-5-6-13-11(10-12)7-9-15-13/h5-6,10,15H,2-4,7-9H2,1H3,(H,16,17)
InChIKeyBTCALJUOFUZQLU-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.57
Rot. Bonds5

About N-pentyl-2,3-dihydro-1H-indole-5-carboxamide

N-pentyl-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 43142455) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-pentyl-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-pentyl-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID43142455
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-pentyl-2,3-dihydro-1H-indole-5-carboxamide
SMILESCCCCCNC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H20N2O/c1-2-3-4-8-16-14(17)12-5-6-13-11(10-12)7-9-15-13/h5-6,10,15H,2-4,7-9H2,1H3,(H,16,17)
InChIKeyBTCALJUOFUZQLU-UHFFFAOYSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43552874
1-(2,3-dihydro-1H-indol-5-yl)-2-(pentylamino)ethanone
CID 82102357
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 62641149
N-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide
CID 106222041
N-[3-(2-hydroxyethoxy)propyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 106310514
N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 71051708
N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784488
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 43325545
1-(2,3-dihydro-1H-indol-5-yl)heptan-1-one
CID 116554189
1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 79362938
N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93083353

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-pentyl-2,3-dihydro-1H-indole-5-carboxamide (CID 43142455) is N-pentyl-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-pentyl-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-pentyl-2,3-dihydro-1H-indole-5-carboxamide is CCCCCNC(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-pentyl-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is BTCALJUOFUZQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-3-4-8-16-14(17)12-5-6-13-11(10-12)7-9-15-13/h5-6,10,15H,2-4,7-9H2,1H3,(H,16,17).
What are the key properties of N-pentyl-2,3-dihydro-1H-indole-5-carboxamide?
N-pentyl-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 43142455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).