(3R)-3-(1H-indol-3-yl)-4-methylpentanamide

C14H18N2O — CID 98241929

IUPAC(3R)-3-(1H-indol-3-yl)-4-methylpentanamide
SMILESCC(C)[C@@H](CC(N)=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O/c1-9(2)11(7-14(15)17)12-8-16-13-6-4-3-5-10(12)13/h3-6,8-9,11,16H,7H2,1-2H3,(H2,15,17)/t11-/m1/s1
InChIKeyLXRQEUSONQVVAG-LLVKDONJSA-N
MW230.31 g/mol
LogP2.78
Rot. Bonds4

About (3R)-3-(1H-indol-3-yl)-4-methylpentanamide

(3R)-3-(1H-indol-3-yl)-4-methylpentanamide (PubChem CID 98241929) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (3R)-3-(1H-indol-3-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(3R)-3-(1H-indol-3-yl)-4-methylpentanamide
PubChem CID98241929
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(3R)-3-(1H-indol-3-yl)-4-methylpentanamide
SMILESCC(C)[C@@H](CC(N)=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H18N2O/c1-9(2)11(7-14(15)17)12-8-16-13-6-4-3-5-10(12)13/h3-6,8-9,11,16H,7H2,1-2H3,(H2,15,17)/t11-/m1/s1
InChIKeyLXRQEUSONQVVAG-LLVKDONJSA-N
XLogP2.78
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2S)-3-methyl-1-nitrobutan-2-yl]-1H-indole
CID 102028785
(3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine
CID 124566723
ethyl 3-amino-2-(1H-indol-3-yl)-3-oxopropanoate
CID 67232223
2-(1H-indol-3-yl)-4-methylpentanoic acid
CID 83644825
3-propan-2-yl-1H-indole
CID 12534824
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
(3R)-3-(1H-indol-3-yl)-2-oxobutanoic acid
CID 118796912
3-(1H-indol-3-yl)pentanoic acid
CID 12616752
(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864
ethyl (2R,3R)-2-hydroxy-3-(1H-indol-3-yl)butanoate
CID 14735622
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-indol-3-yl)-4-methylpentanamide?
The IUPAC name of (3R)-3-(1H-indol-3-yl)-4-methylpentanamide (CID 98241929) is (3R)-3-(1H-indol-3-yl)-4-methylpentanamide.
What is the SMILES notation for (3R)-3-(1H-indol-3-yl)-4-methylpentanamide?
The canonical SMILES for (3R)-3-(1H-indol-3-yl)-4-methylpentanamide is CC(C)[C@@H](CC(N)=O)c1c[nH]c2ccccc12.
What is the InChIKey of (3R)-3-(1H-indol-3-yl)-4-methylpentanamide?
The InChIKey is LXRQEUSONQVVAG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(2)11(7-14(15)17)12-8-16-13-6-4-3-5-10(12)13/h3-6,8-9,11,16H,7H2,1-2H3,(H2,15,17)/t11-/m1/s1.
What are the key properties of (3R)-3-(1H-indol-3-yl)-4-methylpentanamide?
(3R)-3-(1H-indol-3-yl)-4-methylpentanamide has a molecular weight of 230.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-indol-3-yl)-4-methylpentanamide is sourced from PubChem (CID 98241929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).