2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide

C23H25N3O3 — CID 18562288

IUPAC2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C23H25N3O3/c1-4-25(5-2)21(27)15-26-14-19(18-8-6-7-9-20(18)26)22(28)23(29)24-17-12-10-16(3)11-13-17/h6-14H,4-5,15H2,1-3H3,(H,24,29)
InChIKeyVQIQGMVRKMLCNI-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.64
Rot. Bonds7

About 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide

2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide (PubChem CID 18562288) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide
PubChem CID18562288
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C23H25N3O3/c1-4-25(5-2)21(27)15-26-14-19(18-8-6-7-9-20(18)26)22(28)23(29)24-17-12-10-16(3)11-13-17/h6-14H,4-5,15H2,1-3H3,(H,24,29)
InChIKeyVQIQGMVRKMLCNI-UHFFFAOYSA-N
XLogP3.64
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide (CID 18562288) is 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide is CCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2ccc(C)cc2)c2ccccc21.
What is the InChIKey of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is VQIQGMVRKMLCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-4-25(5-2)21(27)15-26-14-19(18-8-6-7-9-20(18)26)22(28)23(29)24-17-12-10-16(3)11-13-17/h6-14H,4-5,15H2,1-3H3,(H,24,29).
What are the key properties of 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide?
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 391.47 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 18562288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).