N-(1H-indol-3-yl)butanamide;dihydrochloride

C12H16Cl2N2O — CID 142898662

IUPACN-(1H-indol-3-yl)butanamide;dihydrochloride
SMILESCCCC(=O)Nc1c[nH]c2ccccc12.Cl.Cl
InChIInChI=1S/C12H14N2O.2ClH/c1-2-5-12(15)14-11-8-13-10-7-4-3-6-9(10)11;;/h3-4,6-8,13H,2,5H2,1H3,(H,14,15);2*1H
InChIKeyDOGAWGGKWIIOJF-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.75
Rot. Bonds3

About N-(1H-indol-3-yl)butanamide;dihydrochloride

N-(1H-indol-3-yl)butanamide;dihydrochloride (PubChem CID 142898662) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is N-(1H-indol-3-yl)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-(1H-indol-3-yl)butanamide;dihydrochloride
PubChem CID142898662
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC NameN-(1H-indol-3-yl)butanamide;dihydrochloride
SMILESCCCC(=O)Nc1c[nH]c2ccccc12.Cl.Cl
InChIInChI=1S/C12H14N2O.2ClH/c1-2-5-12(15)14-11-8-13-10-7-4-3-6-9(10)11;;/h3-4,6-8,13H,2,5H2,1H3,(H,14,15);2*1H
InChIKeyDOGAWGGKWIIOJF-UHFFFAOYSA-N
XLogP3.75
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-hydroxy-N-(1H-indol-3-yl)butanamide
CID 115162786
N-(6-methyl-1H-indol-3-yl)butanamide
CID 175196130
1-ethyl-3-(1H-indol-3-yl)urea
CID 7615926
1H-indol-3-ylcarbamic acid
CID 66672709
1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea
CID 7615931
N-(1H-indol-3-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
CID 46963319
1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea
CID 7615942
N-ethyl-1H-indol-3-amine
CID 22497863
3-(1H-indol-3-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 115163934
N-(1H-indol-3-yl)-2-methyl-2-(methylamino)propanamide
CID 115165574
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
N-methyl-1H-indol-3-amine;oxalic acid
CID 69068496

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-yl)butanamide;dihydrochloride?
The IUPAC name of N-(1H-indol-3-yl)butanamide;dihydrochloride (CID 142898662) is N-(1H-indol-3-yl)butanamide;dihydrochloride.
What is the SMILES notation for N-(1H-indol-3-yl)butanamide;dihydrochloride?
The canonical SMILES for N-(1H-indol-3-yl)butanamide;dihydrochloride is CCCC(=O)Nc1c[nH]c2ccccc12.Cl.Cl.
What is the InChIKey of N-(1H-indol-3-yl)butanamide;dihydrochloride?
The InChIKey is DOGAWGGKWIIOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.2ClH/c1-2-5-12(15)14-11-8-13-10-7-4-3-6-9(10)11;;/h3-4,6-8,13H,2,5H2,1H3,(H,14,15);2*1H.
What are the key properties of N-(1H-indol-3-yl)butanamide;dihydrochloride?
N-(1H-indol-3-yl)butanamide;dihydrochloride has a molecular weight of 275.18 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-yl)butanamide;dihydrochloride is sourced from PubChem (CID 142898662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).