N-(2,4-dimethylphenyl)-3-(2-hydrazinylethoxy)-1H-indole-2-carboxamide

C19H22N4O2 — CID 3044331

IUPACN-(2,4-dimethylphenyl)-3-(2-hydrazinylethoxy)-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)c2[nH]c3ccccc3c2OCCNN)c(C)c1
InChIInChI=1S/C19H22N4O2/c1-12-7-8-15(13(2)11-12)23-19(24)17-18(25-10-9-21-20)14-5-3-4-6-16(14)22-17/h3-8,11,21-22H,9-10,20H2,1-2H3,(H,23,24)
InChIKeyCIZBURDFPWIKBP-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.88
Rot. Bonds6

About N-(2,4-dimethylphenyl)-3-(2-hydrazinylethoxy)-1H-indole-2-carboxamide

N-(2,4-dimethylphenyl)-3-(2-hydrazinylethoxy)-1H-indole-2-carboxamide (PubChem CID 3044331) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(2-hydrazinylethoxy)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(2-hydrazinylethoxy)-1H-indole-2-carboxamide
PubChem CID3044331
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(2,4-dimethylphenyl)-3-(2-hydrazinylethoxy)-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)c2[nH]c3ccccc3c2OCCNN)c(C)c1
InChIInChI=1S/C19H22N4O2/c1-12-7-8-15(13(2)11-12)23-19(24)17-18(25-10-9-21-20)14-5-3-4-6-16(14)22-17/h3-8,11,21-22H,9-10,20H2,1-2H3,(H,23,24)
InChIKeyCIZBURDFPWIKBP-UHFFFAOYSA-N
XLogP2.88
TPSA92.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(2-hydrazinylethoxy)-1H-indole-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(2-hydrazinylethoxy)-1H-indole-2-carboxamide (CID 3044331) is N-(2,4-dimethylphenyl)-3-(2-hydrazinylethoxy)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(2-hydrazinylethoxy)-1H-indole-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(2-hydrazinylethoxy)-1H-indole-2-carboxamide is Cc1ccc(NC(=O)c2[nH]c3ccccc3c2OCCNN)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(2-hydrazinylethoxy)-1H-indole-2-carboxamide?
The InChIKey is CIZBURDFPWIKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-7-8-15(13(2)11-12)23-19(24)17-18(25-10-9-21-20)14-5-3-4-6-16(14)22-17/h3-8,11,21-22H,9-10,20H2,1-2H3,(H,23,24).
What are the key properties of N-(2,4-dimethylphenyl)-3-(2-hydrazinylethoxy)-1H-indole-2-carboxamide?
N-(2,4-dimethylphenyl)-3-(2-hydrazinylethoxy)-1H-indole-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(2-hydrazinylethoxy)-1H-indole-2-carboxamide is sourced from PubChem (CID 3044331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).