N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide

C13H18N2O2 — CID 106842127

IUPACN-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCCCCO)C1Cc2ccccc2N1
InChIInChI=1S/C13H18N2O2/c16-8-4-3-7-14-13(17)12-9-10-5-1-2-6-11(10)15-12/h1-2,5-6,12,15-16H,3-4,7-9H2,(H,14,17)
InChIKeyJZTQHBAQVIGECR-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.91
Rot. Bonds5

About N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide

N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 106842127) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID106842127
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCCCCO)C1Cc2ccccc2N1
InChIInChI=1S/C13H18N2O2/c16-8-4-3-7-14-13(17)12-9-10-5-1-2-6-11(10)15-12/h1-2,5-6,12,15-16H,3-4,7-9H2,(H,14,17)
InChIKeyJZTQHBAQVIGECR-UHFFFAOYSA-N
XLogP0.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892809
N-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide
CID 114264870
(2S)-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63957351
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648
(2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148271
N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76929615
methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride
CID 67874407
(2S)-N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 66089072
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76947537
(2S)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147921
(2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 113494764

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 106842127) is N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide is O=C(NCCCCO)C1Cc2ccccc2N1.
What is the InChIKey of N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is JZTQHBAQVIGECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-8-4-3-7-14-13(17)12-9-10-5-1-2-6-11(10)15-12/h1-2,5-6,12,15-16H,3-4,7-9H2,(H,14,17).
What are the key properties of N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide?
N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 106842127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).