2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C17H26N4O — CID 108995075

IUPAC2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCN(C)CCCNCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H26N4O/c1-21(2)11-5-9-18-13-17(22)19-10-8-14-12-20-16-7-4-3-6-15(14)16/h3-4,6-7,12,18,20H,5,8-11,13H2,1-2H3,(H,19,22)
InChIKeyZISRYJRTUUHEPV-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.37
Rot. Bonds9

About 2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 108995075) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID108995075
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCN(C)CCCNCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H26N4O/c1-21(2)11-5-9-18-13-17(22)19-10-8-14-12-20-16-7-4-3-6-15(14)16/h3-4,6-7,12,18,20H,5,8-11,13H2,1-2H3,(H,19,22)
InChIKeyZISRYJRTUUHEPV-UHFFFAOYSA-N
XLogP1.37
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109000531
6-N-[2-(dimethylamino)ethyl]-2-N-[2-(1H-indol-3-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109096308
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002483
2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856
1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea
CID 8669325
2-amino-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]acetamide
CID 61258221
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
1-N'-[2-(dimethylamino)ethyl]-1-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108973434
2-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002445

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 108995075) is 2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide is CN(C)CCCNCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is ZISRYJRTUUHEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-21(2)11-5-9-18-13-17(22)19-10-8-14-12-20-16-7-4-3-6-15(14)16/h3-4,6-7,12,18,20H,5,8-11,13H2,1-2H3,(H,19,22).
What are the key properties of 2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 302.42 g/mol, XLogP of 1.37, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 108995075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).