N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide

C17H30N4O — CID 5309109

IUPACN-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCCN(CC)CCCNC(=O)Cn1cc2c(n1)CCC(C)C2
InChIInChI=1S/C17H30N4O/c1-4-20(5-2)10-6-9-18-17(22)13-21-12-15-11-14(3)7-8-16(15)19-21/h12,14H,4-11,13H2,1-3H3,(H,18,22)
InChIKeyULKKBNXJHXFQQV-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.86
Rot. Bonds8

About N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5309109) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5309109
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCCN(CC)CCCNC(=O)Cn1cc2c(n1)CCC(C)C2
InChIInChI=1S/C17H30N4O/c1-4-20(5-2)10-6-9-18-17(22)13-21-12-15-11-14(3)7-8-16(15)19-21/h12,14H,4-11,13H2,1-3H3,(H,18,22)
InChIKeyULKKBNXJHXFQQV-UHFFFAOYSA-N
XLogP1.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5309109) is N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is CCN(CC)CCCNC(=O)Cn1cc2c(n1)CCC(C)C2.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is ULKKBNXJHXFQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-4-20(5-2)10-6-9-18-17(22)13-21-12-15-11-14(3)7-8-16(15)19-21/h12,14H,4-11,13H2,1-3H3,(H,18,22).
What are the key properties of N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 306.45 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5309109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).