N-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide

C16H22N2O2 — CID 66109220

IUPACN-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(CCO)CNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C16H22N2O2/c1-12(8-9-19)10-18-16(20)7-6-13-11-17-15-5-3-2-4-14(13)15/h2-5,11-12,17,19H,6-10H2,1H3,(H,18,20)
InChIKeyGKXRAPFDUMFWNC-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.24
Rot. Bonds7

About N-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide

N-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 66109220) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide
PubChem CID66109220
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(CCO)CNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C16H22N2O2/c1-12(8-9-19)10-18-16(20)7-6-13-11-17-15-5-3-2-4-14(13)15/h2-5,11-12,17,19H,6-10H2,1H3,(H,18,20)
InChIKeyGKXRAPFDUMFWNC-UHFFFAOYSA-N
XLogP2.24
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)propyl]propanamide
CID 70207021
N-(2-amino-3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 64539569
7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethylheptanamide
CID 90927867
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide
CID 47042483
N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
CID 64597246
3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95604374
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
2-[3-(1H-indol-3-yl)propanoylamino]acetate
CID 7677841

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide (CID 66109220) is N-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide is CC(CCO)CNC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is GKXRAPFDUMFWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(8-9-19)10-18-16(20)7-6-13-11-17-15-5-3-2-4-14(13)15/h2-5,11-12,17,19H,6-10H2,1H3,(H,18,20).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide?
N-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 274.36 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 66109220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).