N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide

C18H26N2O — CID 64597246

IUPACN-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
SMILESCC(C)C(C)CNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H26N2O/c1-13(2)14(3)11-20-18(21)10-6-7-15-12-19-17-9-5-4-8-16(15)17/h4-5,8-9,12-14,19H,6-7,10-11H2,1-3H3,(H,20,21)
InChIKeyFEIDFERGQLLZRR-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.90
Rot. Bonds7

About N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide

N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide (PubChem CID 64597246) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
PubChem CID64597246
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
SMILESCC(C)C(C)CNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H26N2O/c1-13(2)14(3)11-20-18(21)10-6-7-15-12-19-17-9-5-4-8-16(15)17/h4-5,8-9,12-14,19H,6-7,10-11H2,1-3H3,(H,20,21)
InChIKeyFEIDFERGQLLZRR-UHFFFAOYSA-N
XLogP3.90
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclopropylpropyl)-4-(1H-indol-3-yl)butanamide
CID 115591193
N-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide
CID 51153675
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide
CID 95302760
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866
N-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide
CID 111425971
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)propyl]propanamide
CID 70207021
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 2481341
methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate
CID 60638102

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide (CID 64597246) is N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide is CC(C)C(C)CNC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide?
The InChIKey is FEIDFERGQLLZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(2)14(3)11-20-18(21)10-6-7-15-12-19-17-9-5-4-8-16(15)17/h4-5,8-9,12-14,19H,6-7,10-11H2,1-3H3,(H,20,21).
What are the key properties of N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide?
N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide has a molecular weight of 286.42 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 64597246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).