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

C19H32N4O — CID 5309567

IUPACN-[3-[cyclohexyl(methyl)amino]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCN(CCCNC(=O)Cn1cc2c(n1)CCCC2)C1CCCCC1
InChIInChI=1S/C19H32N4O/c1-22(17-9-3-2-4-10-17)13-7-12-20-19(24)15-23-14-16-8-5-6-11-18(16)21-23/h14,17H,2-13,15H2,1H3,(H,20,24)
InChIKeyVABGNVQLENSDDB-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.53
Rot. Bonds7

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

N-[3-[cyclohexyl(methyl)amino]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5309567) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)amino]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)amino]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5309567
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC NameN-[3-[cyclohexyl(methyl)amino]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCN(CCCNC(=O)Cn1cc2c(n1)CCCC2)C1CCCCC1
InChIInChI=1S/C19H32N4O/c1-22(17-9-3-2-4-10-17)13-7-12-20-19(24)15-23-14-16-8-5-6-11-18(16)21-23/h14,17H,2-13,15H2,1H3,(H,20,24)
InChIKeyVABGNVQLENSDDB-UHFFFAOYSA-N
XLogP2.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.53
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-[cyclohexyl(methyl)amino]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5309567) is N-[3-[cyclohexyl(methyl)amino]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)amino]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)amino]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is CN(CCCNC(=O)Cn1cc2c(n1)CCCC2)C1CCCCC1.
What is the InChIKey of N-[3-[cyclohexyl(methyl)amino]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is VABGNVQLENSDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-22(17-9-3-2-4-10-17)13-7-12-20-19(24)15-23-14-16-8-5-6-11-18(16)21-23/h14,17H,2-13,15H2,1H3,(H,20,24).
What are the key properties of N-[3-[cyclohexyl(methyl)amino]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-[3-[cyclohexyl(methyl)amino]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 332.49 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)amino]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5309567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).