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

C16H22N2O2 — CID 43591663

IUPACN-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
SMILESCCOCCNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H22N2O2/c1-2-20-11-10-17-16(19)9-5-6-13-12-18-15-8-4-3-7-14(13)15/h3-4,7-8,12,18H,2,5-6,9-11H2,1H3,(H,17,19)
InChIKeyQHSBHDMWNCPVFI-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.64
Rot. Bonds8

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

N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide (PubChem CID 43591663) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
PubChem CID43591663
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
SMILESCCOCCNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H22N2O2/c1-2-20-11-10-17-16(19)9-5-6-13-12-18-15-8-4-3-7-14(13)15/h3-4,7-8,12,18H,2,5-6,9-11H2,1H3,(H,17,19)
InChIKeyQHSBHDMWNCPVFI-UHFFFAOYSA-N
XLogP2.64
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-3-(1H-indol-3-yl)propanamide
CID 43591658
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740
N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide
CID 588709
[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
CID 4024790
N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide
CID 16574428
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide
CID 55452531

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide (CID 43591663) is N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide is CCOCCNC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide?
The InChIKey is QHSBHDMWNCPVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-20-11-10-17-16(19)9-5-6-13-12-18-15-8-4-3-7-14(13)15/h3-4,7-8,12,18H,2,5-6,9-11H2,1H3,(H,17,19).
What are the key properties of N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide?
N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide has a molecular weight of 274.36 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 43591663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).