1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide

C21H21N3O2 — CID 109043503

IUPAC1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide
SMILESC=CCNC(=O)c1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H21N3O2/c1-2-12-22-20(25)15-7-9-16(10-8-15)21(26)23-13-11-17-14-24-19-6-4-3-5-18(17)19/h2-10,14,24H,1,11-13H2,(H,22,25)(H,23,26)
InChIKeyZXNCGUFNBAZZJI-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.06
Rot. Bonds7

About 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide

1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide (PubChem CID 109043503) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide
PubChem CID109043503
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide
SMILESC=CCNC(=O)c1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H21N3O2/c1-2-12-22-20(25)15-7-9-16(10-8-15)21(26)23-13-11-17-14-24-19-6-4-3-5-18(17)19/h2-10,14,24H,1,11-13H2,(H,22,25)(H,23,26)
InChIKeyZXNCGUFNBAZZJI-UHFFFAOYSA-N
XLogP3.06
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(1H-indol-3-yl)ethyl]-3-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050911
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-2-(prop-2-enylamino)pyridine-4-carboxamide
CID 109165348
N-[2-(1H-indol-3-yl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110236
N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide
CID 4144351
4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
CID 26710991
4-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645316
N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18532713
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971
3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645186

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide (CID 109043503) is 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide is C=CCNC(=O)c1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide?
The InChIKey is ZXNCGUFNBAZZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-2-12-22-20(25)15-7-9-16(10-8-15)21(26)23-13-11-17-14-24-19-6-4-3-5-18(17)19/h2-10,14,24H,1,11-13H2,(H,22,25)(H,23,26).
What are the key properties of 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide?
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109043503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).