N-(2,2-dimethoxyethyl)-2-(3-methylindazol-1-yl)propanamide

C15H21N3O3 — CID 4295610

IUPACN-(2,2-dimethoxyethyl)-2-(3-methylindazol-1-yl)propanamide
SMILESCOC(CNC(=O)C(C)n1nc(C)c2ccccc21)OC
InChIInChI=1S/C15H21N3O3/c1-10-12-7-5-6-8-13(12)18(17-10)11(2)15(19)16-9-14(20-3)21-4/h5-8,11,14H,9H2,1-4H3,(H,16,19)
InChIKeyKNYKEBYHNHXTGR-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.64
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-2-(3-methylindazol-1-yl)propanamide

N-(2,2-dimethoxyethyl)-2-(3-methylindazol-1-yl)propanamide (PubChem CID 4295610) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-(3-methylindazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-(3-methylindazol-1-yl)propanamide
PubChem CID4295610
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(2,2-dimethoxyethyl)-2-(3-methylindazol-1-yl)propanamide
SMILESCOC(CNC(=O)C(C)n1nc(C)c2ccccc21)OC
InChIInChI=1S/C15H21N3O3/c1-10-12-7-5-6-8-13(12)18(17-10)11(2)15(19)16-9-14(20-3)21-4/h5-8,11,14H,9H2,1-4H3,(H,16,19)
InChIKeyKNYKEBYHNHXTGR-UHFFFAOYSA-N
XLogP1.64
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-(3-methylindazol-1-yl)propanamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-(3-methylindazol-1-yl)propanamide (CID 4295610) is N-(2,2-dimethoxyethyl)-2-(3-methylindazol-1-yl)propanamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-(3-methylindazol-1-yl)propanamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-(3-methylindazol-1-yl)propanamide is COC(CNC(=O)C(C)n1nc(C)c2ccccc21)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-(3-methylindazol-1-yl)propanamide?
The InChIKey is KNYKEBYHNHXTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-12-7-5-6-8-13(12)18(17-10)11(2)15(19)16-9-14(20-3)21-4/h5-8,11,14H,9H2,1-4H3,(H,16,19).
What are the key properties of N-(2,2-dimethoxyethyl)-2-(3-methylindazol-1-yl)propanamide?
N-(2,2-dimethoxyethyl)-2-(3-methylindazol-1-yl)propanamide has a molecular weight of 291.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-(3-methylindazol-1-yl)propanamide is sourced from PubChem (CID 4295610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).