N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide

C23H30N4O — CID 109002411

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNCCc2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C23H30N4O/c1-4-27(5-2)19-10-11-21(17(3)14-19)26-23(28)16-24-13-12-18-15-25-22-9-7-6-8-20(18)22/h6-11,14-15,24-25H,4-5,12-13,16H2,1-3H3,(H,26,28)
InChIKeyAJJRYYCDIGEDGT-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.09
Rot. Bonds9

About N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide

N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide (PubChem CID 109002411) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
PubChem CID109002411
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNCCc2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C23H30N4O/c1-4-27(5-2)19-10-11-21(17(3)14-19)26-23(28)16-24-13-12-18-15-25-22-9-7-6-8-20(18)22/h6-11,14-15,24-25H,4-5,12-13,16H2,1-3H3,(H,26,28)
InChIKeyAJJRYYCDIGEDGT-UHFFFAOYSA-N
XLogP4.09
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027527
2-[2-(1H-indol-3-yl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109002334
2-[4-(diethylamino)-2-methylanilino]-1-(1H-indol-3-yl)ethanone
CID 110655324
N-[4-(diethylamino)-2-methylphenyl]-2-(3-phenylpropylamino)acetamide
CID 109005120
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50977958
2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856
N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide
CID 108997613
N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002406
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001260
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002301
N-[4-(diethylamino)-2-methylphenyl]-2-(1,2-dimethylindol-3-yl)acetamide
CID 113211503

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide (CID 109002411) is N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide is CCN(CC)c1ccc(NC(=O)CNCCc2c[nH]c3ccccc23)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
The InChIKey is AJJRYYCDIGEDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-4-27(5-2)19-10-11-21(17(3)14-19)26-23(28)16-24-13-12-18-15-25-22-9-7-6-8-20(18)22/h6-11,14-15,24-25H,4-5,12-13,16H2,1-3H3,(H,26,28).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide has a molecular weight of 378.52 g/mol, XLogP of 4.09, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide is sourced from PubChem (CID 109002411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).