N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide

C17H25N3O — CID 43601757

IUPACN-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
SMILESCCNCCCNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H25N3O/c1-2-18-11-6-12-19-17(21)10-5-7-14-13-20-16-9-4-3-8-15(14)16/h3-4,8-9,13,18,20H,2,5-7,10-12H2,1H3,(H,19,21)
InChIKeyOFKAVGQIYDRFSG-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.61
Rot. Bonds9

About N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide

N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 43601757) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
PubChem CID43601757
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
SMILESCCNCCCNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H25N3O/c1-2-18-11-6-12-19-17(21)10-5-7-14-13-20-16-9-4-3-8-15(14)16/h3-4,8-9,13,18,20H,2,5-7,10-12H2,1H3,(H,19,21)
InChIKeyOFKAVGQIYDRFSG-UHFFFAOYSA-N
XLogP2.61
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.61
H-Bond Donors ≤ 53
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-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740
N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
CID 43591663
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
N-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide
CID 55452531
N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide
CID 51222112
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-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028
(E)-but-2-enedioic acid;bis(N-ethyl-2-(1H-indol-3-yl)ethanamine)
CID 172871952
N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
CID 64597246

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide (CID 43601757) is N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide is CCNCCCNC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is OFKAVGQIYDRFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-18-11-6-12-19-17(21)10-5-7-14-13-20-16-9-4-3-8-15(14)16/h3-4,8-9,13,18,20H,2,5-7,10-12H2,1H3,(H,19,21).
What are the key properties of N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide?
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 287.41 g/mol, XLogP of 2.61, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 43601757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).