N-[3-(N-ethylanilino)propyl]-2-(1H-indol-3-yl)-2-oxoacetamide

C21H23N3O2 — CID 7087100

IUPACN-[3-(N-ethylanilino)propyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCCN(CCCNC(=O)C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-2-24(16-9-4-3-5-10-16)14-8-13-22-21(26)20(25)18-15-23-19-12-7-6-11-17(18)19/h3-7,9-12,15,23H,2,8,13-14H2,1H3,(H,22,26)
InChIKeyBUFPBNBHDNVSOG-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.38
Rot. Bonds8

About N-[3-(N-ethylanilino)propyl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[3-(N-ethylanilino)propyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 7087100) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID7087100
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[3-(N-ethylanilino)propyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCCN(CCCNC(=O)C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-2-24(16-9-4-3-5-10-16)14-8-13-22-21(26)20(25)18-15-23-19-12-7-6-11-17(18)19/h3-7,9-12,15,23H,2,8,13-14H2,1H3,(H,22,26)
InChIKeyBUFPBNBHDNVSOG-UHFFFAOYSA-N
XLogP3.38
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide
CID 55452531
N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide
CID 41277786
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
[4-(diethylamino)phenyl]-(1H-indol-3-yl)methanone
CID 4256394
N-[(2R)-5-(diethylamino)pentan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117299
2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide
CID 120594854
2-(1H-indol-3-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-oxoacetamide
CID 71789720
3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one
CID 53414703
(2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61258840
3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
CID 62834234
4-(N-ethylanilino)butanoic acid
CID 11390560
N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide
CID 26035305

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 7087100) is N-[3-(N-ethylanilino)propyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-2-(1H-indol-3-yl)-2-oxoacetamide is CCN(CCCNC(=O)C(=O)c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is BUFPBNBHDNVSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-24(16-9-4-3-5-10-16)14-8-13-22-21(26)20(25)18-15-23-19-12-7-6-11-17(18)19/h3-7,9-12,15,23H,2,8,13-14H2,1H3,(H,22,26).
What are the key properties of N-[3-(N-ethylanilino)propyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[3-(N-ethylanilino)propyl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 349.43 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 7087100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).