N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide

C21H25N3O2 — CID 113206131

IUPACN-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2c[nH]c3ccc(OC)cc23)c(C)c1
InChIInChI=1S/C21H25N3O2/c1-5-24(6-2)15-7-9-19(14(3)11-15)23-21(25)18-13-22-20-10-8-16(26-4)12-17(18)20/h7-13,22H,5-6H2,1-4H3,(H,23,25)
InChIKeyCJEBFJAIFNEXCC-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.58
Rot. Bonds6

About N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide

N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide (PubChem CID 113206131) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide
PubChem CID113206131
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2c[nH]c3ccc(OC)cc23)c(C)c1
InChIInChI=1S/C21H25N3O2/c1-5-24(6-2)15-7-9-19(14(3)11-15)23-21(25)18-13-22-20-10-8-16(26-4)12-17(18)20/h7-13,22H,5-6H2,1-4H3,(H,23,25)
InChIKeyCJEBFJAIFNEXCC-UHFFFAOYSA-N
XLogP4.58
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206042
N-[4-(diethylamino)-2-methylphenyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210892
N-(2,3-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206047
N-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206110
N-(2-ethoxyphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206077
5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide
CID 113206039
N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206671
2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 113208438
methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate
CID 108785560
N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009543
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108955947
ethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate
CID 113206116

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide (CID 113206131) is N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2c[nH]c3ccc(OC)cc23)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide?
The InChIKey is CJEBFJAIFNEXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-5-24(6-2)15-7-9-19(14(3)11-15)23-21(25)18-13-22-20-10-8-16(26-4)12-17(18)20/h7-13,22H,5-6H2,1-4H3,(H,23,25).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-5-methoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113206131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).