N-cyclobutyl-N-(3-hydroxypropyl)-1H-indole-4-carboxamide

C16H20N2O2 — CID 102866453

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-1H-indole-4-carboxamide
SMILESO=C(c1cccc2[nH]ccc12)N(CCCO)C1CCC1
InChIInChI=1S/C16H20N2O2/c19-11-3-10-18(12-4-1-5-12)16(20)14-6-2-7-15-13(14)8-9-17-15/h2,6-9,12,17,19H,1,3-5,10-11H2
InChIKeyLSLMNNYQJQHCKC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.55
Rot. Bonds5

About N-cyclobutyl-N-(3-hydroxypropyl)-1H-indole-4-carboxamide

N-cyclobutyl-N-(3-hydroxypropyl)-1H-indole-4-carboxamide (PubChem CID 102866453) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-1H-indole-4-carboxamide
PubChem CID102866453
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-1H-indole-4-carboxamide
SMILESO=C(c1cccc2[nH]ccc12)N(CCCO)C1CCC1
InChIInChI=1S/C16H20N2O2/c19-11-3-10-18(12-4-1-5-12)16(20)14-6-2-7-15-13(14)8-9-17-15/h2,6-9,12,17,19H,1,3-5,10-11H2
InChIKeyLSLMNNYQJQHCKC-UHFFFAOYSA-N
XLogP2.55
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbenzamide
CID 107097897
N-cyclobutyl-N-(3-hydroxypropyl)-2-methylsulfanylbenzamide
CID 102866356
[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-4-yl)methanone
CID 116635844
1H-indole-4-carbonyl bromide
CID 175285982
3-[tert-butyl(1H-indole-4-carbonyl)amino]propanoic acid
CID 60826642
N,N-bis(cyanomethyl)-1H-indole-4-carboxamide
CID 43582545
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 54942691
N-cyclopentyl-1H-indole-4-carboxamide
CID 43582325
4-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-2-sulfanylbenzamide
CID 107036757
N-cyclobutyl-2-fluoro-4-hydroxy-N-(3-hydroxypropyl)benzamide
CID 102978235
N-methoxy-N-propyl-1H-indole-4-carboxamide
CID 114277166
N-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide
CID 43596537

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-1H-indole-4-carboxamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-1H-indole-4-carboxamide (CID 102866453) is N-cyclobutyl-N-(3-hydroxypropyl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-1H-indole-4-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-1H-indole-4-carboxamide is O=C(c1cccc2[nH]ccc12)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-1H-indole-4-carboxamide?
The InChIKey is LSLMNNYQJQHCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-11-3-10-18(12-4-1-5-12)16(20)14-6-2-7-15-13(14)8-9-17-15/h2,6-9,12,17,19H,1,3-5,10-11H2.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-1H-indole-4-carboxamide?
N-cyclobutyl-N-(3-hydroxypropyl)-1H-indole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 102866453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).