N-[2-(N-ethylanilino)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C19H26N4O — CID 5307529

IUPACN-[2-(N-ethylanilino)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCCN(CCNC(=O)Cn1cc2c(n1)CCCC2)c1ccccc1
InChIInChI=1S/C19H26N4O/c1-2-22(17-9-4-3-5-10-17)13-12-20-19(24)15-23-14-16-8-6-7-11-18(16)21-23/h3-5,9-10,14H,2,6-8,11-13,15H2,1H3,(H,20,24)
InChIKeyQXBMUUXBLZDAEY-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.40
Rot. Bonds7

About N-[2-(N-ethylanilino)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-[2-(N-ethylanilino)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5307529) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[2-(N-ethylanilino)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(N-ethylanilino)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5307529
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[2-(N-ethylanilino)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCCN(CCNC(=O)Cn1cc2c(n1)CCCC2)c1ccccc1
InChIInChI=1S/C19H26N4O/c1-2-22(17-9-4-3-5-10-17)13-12-20-19(24)15-23-14-16-8-6-7-11-18(16)21-23/h3-5,9-10,14H,2,6-8,11-13,15H2,1H3,(H,20,24)
InChIKeyQXBMUUXBLZDAEY-UHFFFAOYSA-N
XLogP2.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethylanilino)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-[2-(N-ethylanilino)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5307529) is N-[2-(N-ethylanilino)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(N-ethylanilino)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-[2-(N-ethylanilino)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is CCN(CCNC(=O)Cn1cc2c(n1)CCCC2)c1ccccc1.
What is the InChIKey of N-[2-(N-ethylanilino)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is QXBMUUXBLZDAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-22(17-9-4-3-5-10-17)13-12-20-19(24)15-23-14-16-8-6-7-11-18(16)21-23/h3-5,9-10,14H,2,6-8,11-13,15H2,1H3,(H,20,24).
What are the key properties of N-[2-(N-ethylanilino)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-[2-(N-ethylanilino)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 326.44 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethylanilino)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5307529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).