N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide

C16H23N3O — CID 62658030

IUPACN-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESCCNCCNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O/c1-2-17-10-11-18-16(20)9-5-6-13-12-19-15-8-4-3-7-14(13)15/h3-4,7-8,12,17,19H,2,5-6,9-11H2,1H3,(H,18,20)
InChIKeyHAUCOUQGHNFOCY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.22
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide

N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 62658030) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
PubChem CID62658030
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESCCNCCNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O/c1-2-17-10-11-18-16(20)9-5-6-13-12-19-15-8-4-3-7-14(13)15/h3-4,7-8,12,17,19H,2,5-6,9-11H2,1H3,(H,18,20)
InChIKeyHAUCOUQGHNFOCY-UHFFFAOYSA-N
XLogP2.22
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.22
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-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
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-[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-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide
CID 55452531
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-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide (CID 62658030) is N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide is CCNCCNC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is HAUCOUQGHNFOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-17-10-11-18-16(20)9-5-6-13-12-19-15-8-4-3-7-14(13)15/h3-4,7-8,12,17,19H,2,5-6,9-11H2,1H3,(H,18,20).
What are the key properties of N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide?
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 273.38 g/mol, XLogP of 2.22, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 62658030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).