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

C23H29N3O — CID 55452531

IUPACN-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide
SMILESCCN(CCCNC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C23H29N3O/c1-2-26(20-11-4-3-5-12-20)17-9-16-24-23(27)15-8-10-19-18-25-22-14-7-6-13-21(19)22/h3-7,11-14,18,25H,2,8-10,15-17H2,1H3,(H,24,27)
InChIKeyXUXUJGYDBRLHDU-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.52
Rot. Bonds10

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

N-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 55452531) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide
PubChem CID55452531
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC NameN-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide
SMILESCCN(CCCNC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C23H29N3O/c1-2-26(20-11-4-3-5-12-20)17-9-16-24-23(27)15-8-10-19-18-25-22-14-7-6-13-21(19)22/h3-7,11-14,18,25H,2,8-10,15-17H2,1H3,(H,24,27)
InChIKeyXUXUJGYDBRLHDU-UHFFFAOYSA-N
XLogP4.52
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.52
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-[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
N-[3-(N-ethylanilino)propyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7087100
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
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-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137279481
N-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide
CID 51153675
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-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide
CID 4144351

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide (CID 55452531) is N-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide is CCN(CCCNC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is XUXUJGYDBRLHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-2-26(20-11-4-3-5-12-20)17-9-16-24-23(27)15-8-10-19-18-25-22-14-7-6-13-21(19)22/h3-7,11-14,18,25H,2,8-10,15-17H2,1H3,(H,24,27).
What are the key properties of N-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide?
N-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 363.50 g/mol, XLogP of 4.52, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 55452531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).