2-methyl-N-[3-(4-methylindazol-1-yl)propyl]propanamide

C15H21N3O — CID 56731650

IUPAC2-methyl-N-[3-(4-methylindazol-1-yl)propyl]propanamide
SMILESCc1cccc2c1cnn2CCCNC(=O)C(C)C
InChIInChI=1S/C15H21N3O/c1-11(2)15(19)16-8-5-9-18-14-7-4-6-12(3)13(14)10-17-18/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,16,19)
InChIKeyXPQWYRFOXUNBCX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.51
Rot. Bonds5

About 2-methyl-N-[3-(4-methylindazol-1-yl)propyl]propanamide

2-methyl-N-[3-(4-methylindazol-1-yl)propyl]propanamide (PubChem CID 56731650) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-methylindazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(4-methylindazol-1-yl)propyl]propanamide
PubChem CID56731650
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methyl-N-[3-(4-methylindazol-1-yl)propyl]propanamide
SMILESCc1cccc2c1cnn2CCCNC(=O)C(C)C
InChIInChI=1S/C15H21N3O/c1-11(2)15(19)16-8-5-9-18-14-7-4-6-12(3)13(14)10-17-18/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,16,19)
InChIKeyXPQWYRFOXUNBCX-UHFFFAOYSA-N
XLogP2.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-methyl-N-[3-(4-methylindazol-1-yl)propyl]propanamide?
The IUPAC name of 2-methyl-N-[3-(4-methylindazol-1-yl)propyl]propanamide (CID 56731650) is 2-methyl-N-[3-(4-methylindazol-1-yl)propyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(4-methylindazol-1-yl)propyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(4-methylindazol-1-yl)propyl]propanamide is Cc1cccc2c1cnn2CCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[3-(4-methylindazol-1-yl)propyl]propanamide?
The InChIKey is XPQWYRFOXUNBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)15(19)16-8-5-9-18-14-7-4-6-12(3)13(14)10-17-18/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,16,19).
What are the key properties of 2-methyl-N-[3-(4-methylindazol-1-yl)propyl]propanamide?
2-methyl-N-[3-(4-methylindazol-1-yl)propyl]propanamide has a molecular weight of 259.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-methylindazol-1-yl)propyl]propanamide is sourced from PubChem (CID 56731650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).