N'-(2,3-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide

C20H21N3O2 — CID 5183012

IUPACN'-(2,3-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)c1C
InChIInChI=1S/C20H21N3O2/c1-13-6-5-9-17(14(13)2)23-20(25)19(24)21-11-10-15-12-22-18-8-4-3-7-16(15)18/h3-9,12,22H,10-11H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyBGFCJFGKJAYWPD-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.08
Rot. Bonds4

About N'-(2,3-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide

N'-(2,3-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide (PubChem CID 5183012) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N'-(2,3-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,3-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
PubChem CID5183012
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN'-(2,3-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)c1C
InChIInChI=1S/C20H21N3O2/c1-13-6-5-9-17(14(13)2)23-20(25)19(24)21-11-10-15-12-22-18-8-4-3-7-16(15)18/h3-9,12,22H,10-11H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyBGFCJFGKJAYWPD-UHFFFAOYSA-N
XLogP3.08
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(+)-Lysergic acid diethylamide
CID 5761
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Ergometrine
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N,N-Dimethyltryptamine
CID 6089
Lysergic acid amide
CID 442072
Lisuride
CID 28864
Terguride
CID 443951
Methyltryptamine
CID 6088
Alpha-Ethyltryptamine
CID 8367
(-)-Agroclavine
CID 73484
Ilomastat
CID 132519
N,N-Diethyltryptamine
CID 6090

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The IUPAC name of N'-(2,3-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide (CID 5183012) is N'-(2,3-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-(2,3-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The canonical SMILES for N'-(2,3-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide is Cc1cccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)c1C.
What is the InChIKey of N'-(2,3-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The InChIKey is BGFCJFGKJAYWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-6-5-9-17(14(13)2)23-20(25)19(24)21-11-10-15-12-22-18-8-4-3-7-16(15)18/h3-9,12,22H,10-11H2,1-2H3,(H,21,24)(H,23,25).
What are the key properties of N'-(2,3-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide?
N'-(2,3-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide has a molecular weight of 335.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide is sourced from PubChem (CID 5183012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).