N-(6-hydroxyhexyl)-1H-indole-5-carboxamide

C15H20N2O2 — CID 103918779

IUPACN-(6-hydroxyhexyl)-1H-indole-5-carboxamide
SMILESO=C(NCCCCCCO)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H20N2O2/c18-10-4-2-1-3-8-17-15(19)13-5-6-14-12(11-13)7-9-16-14/h5-7,9,11,16,18H,1-4,8,10H2,(H,17,19)
InChIKeyUROSNFXEGCJFKU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.45
Rot. Bonds7

About N-(6-hydroxyhexyl)-1H-indole-5-carboxamide

N-(6-hydroxyhexyl)-1H-indole-5-carboxamide (PubChem CID 103918779) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-1H-indole-5-carboxamide
PubChem CID103918779
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(6-hydroxyhexyl)-1H-indole-5-carboxamide
SMILESO=C(NCCCCCCO)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H20N2O2/c18-10-4-2-1-3-8-17-15(19)13-5-6-14-12(11-13)7-9-16-14/h5-7,9,11,16,18H,1-4,8,10H2,(H,17,19)
InChIKeyUROSNFXEGCJFKU-UHFFFAOYSA-N
XLogP2.45
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.45
H-Bond Donors ≤ 53
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-amino-5-oxopentyl)-1H-indole-5-carboxamide
CID 103896359
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide
CID 115621267
N-(3-butoxypropyl)-1H-indole-5-carboxamide
CID 115618115
N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide
CID 83114551
N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide
CID 63718286
methyl 3-(1H-indole-5-carbonylamino)propanoate
CID 63718794
N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide
CID 63718064
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide
CID 97024088
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
4-[(1H-indole-5-carbonylamino)methyl]benzoic acid
CID 141342691
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide
CID 138674551

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-1H-indole-5-carboxamide?
The IUPAC name of N-(6-hydroxyhexyl)-1H-indole-5-carboxamide (CID 103918779) is N-(6-hydroxyhexyl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(6-hydroxyhexyl)-1H-indole-5-carboxamide is O=C(NCCCCCCO)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-(6-hydroxyhexyl)-1H-indole-5-carboxamide?
The InChIKey is UROSNFXEGCJFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-10-4-2-1-3-8-17-15(19)13-5-6-14-12(11-13)7-9-16-14/h5-7,9,11,16,18H,1-4,8,10H2,(H,17,19).
What are the key properties of N-(6-hydroxyhexyl)-1H-indole-5-carboxamide?
N-(6-hydroxyhexyl)-1H-indole-5-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 103918779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).