N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide

C21H23N3O2 — CID 51165309

IUPACN-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)NCCCn2ccc3ccccc32)c1
InChIInChI=1S/C21H23N3O2/c1-16-6-4-8-18(14-16)21(26)23-15-20(25)22-11-5-12-24-13-10-17-7-2-3-9-19(17)24/h2-4,6-10,13-14H,5,11-12,15H2,1H3,(H,22,25)(H,23,26)
InChIKeyPVJMDLIELVAOKU-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.89
Rot. Bonds7

About N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide

N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide (PubChem CID 51165309) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide
PubChem CID51165309
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)NCCCn2ccc3ccccc32)c1
InChIInChI=1S/C21H23N3O2/c1-16-6-4-8-18(14-16)21(26)23-15-20(25)22-11-5-12-24-13-10-17-7-2-3-9-19(17)24/h2-4,6-10,13-14H,5,11-12,15H2,1H3,(H,22,25)(H,23,26)
InChIKeyPVJMDLIELVAOKU-UHFFFAOYSA-N
XLogP2.89
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide
CID 51165310
N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide
CID 51221897
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
N-(3-indol-1-ylpropyl)-2-methylsulfanylpyridine-4-carboxamide
CID 60567233
2-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 51165336
N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide
CID 24554706
3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide
CID 51241490
N-[3-(5-methylindol-1-yl)propyl]pyridine-3-carboxamide
CID 59034901
N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111341750
4-hydroxy-N-(8-indol-1-yloctyl)-3,5-diiodobenzamide
CID 22237561
N-(3-indol-1-ylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49192639

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide (CID 51165309) is N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(=O)NCCCn2ccc3ccccc32)c1.
What is the InChIKey of N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide?
The InChIKey is PVJMDLIELVAOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16-6-4-8-18(14-16)21(26)23-15-20(25)22-11-5-12-24-13-10-17-7-2-3-9-19(17)24/h2-4,6-10,13-14H,5,11-12,15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide?
N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide has a molecular weight of 349.43 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 51165309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).