N-(3-hydroxybutyl)-3-indol-1-ylpropanamide

C15H20N2O2 — CID 111429170

IUPACN-(3-hydroxybutyl)-3-indol-1-ylpropanamide
SMILESCC(O)CCNC(=O)CCn1ccc2ccccc21
InChIInChI=1S/C15H20N2O2/c1-12(18)6-9-16-15(19)8-11-17-10-7-13-4-2-3-5-14(13)17/h2-5,7,10,12,18H,6,8-9,11H2,1H3,(H,16,19)
InChIKeyAIHRSZJDSFJKPN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.92
Rot. Bonds6

About N-(3-hydroxybutyl)-3-indol-1-ylpropanamide

N-(3-hydroxybutyl)-3-indol-1-ylpropanamide (PubChem CID 111429170) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-3-indol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-3-indol-1-ylpropanamide
PubChem CID111429170
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(3-hydroxybutyl)-3-indol-1-ylpropanamide
SMILESCC(O)CCNC(=O)CCn1ccc2ccccc21
InChIInChI=1S/C15H20N2O2/c1-12(18)6-9-16-15(19)8-11-17-10-7-13-4-2-3-5-14(13)17/h2-5,7,10,12,18H,6,8-9,11H2,1H3,(H,16,19)
InChIKeyAIHRSZJDSFJKPN-UHFFFAOYSA-N
XLogP1.92
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-indol-1-ylpropanoylamino)ethoxy]propanoic acid
CID 110495262
3-(3-indol-1-ylpropanoylamino)-2-methylpropanoic acid
CID 119236973
N-[2-(diethylamino)ethyl]-3-indol-1-ylpropanamide
CID 84556794
3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 84556804
3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114637
N-[2-(furan-2-yl)ethyl]-3-indol-1-ylpropanamide
CID 18111353
N-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide
CID 18118692
3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide
CID 108750509
3-indol-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 86930499
2-(3-indol-1-ylpropanoylamino)-2-methylbutanoic acid
CID 119199226
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide
CID 18119415
3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide
CID 31002408

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-3-indol-1-ylpropanamide?
The IUPAC name of N-(3-hydroxybutyl)-3-indol-1-ylpropanamide (CID 111429170) is N-(3-hydroxybutyl)-3-indol-1-ylpropanamide.
What is the SMILES notation for N-(3-hydroxybutyl)-3-indol-1-ylpropanamide?
The canonical SMILES for N-(3-hydroxybutyl)-3-indol-1-ylpropanamide is CC(O)CCNC(=O)CCn1ccc2ccccc21.
What is the InChIKey of N-(3-hydroxybutyl)-3-indol-1-ylpropanamide?
The InChIKey is AIHRSZJDSFJKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12(18)6-9-16-15(19)8-11-17-10-7-13-4-2-3-5-14(13)17/h2-5,7,10,12,18H,6,8-9,11H2,1H3,(H,16,19).
What are the key properties of N-(3-hydroxybutyl)-3-indol-1-ylpropanamide?
N-(3-hydroxybutyl)-3-indol-1-ylpropanamide has a molecular weight of 260.34 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-3-indol-1-ylpropanamide is sourced from PubChem (CID 111429170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).