N-cyclohexyl-N-methyl-2-phthalazin-1-yloxyacetamide

C17H21N3O2 — CID 51142073

IUPACN-cyclohexyl-N-methyl-2-phthalazin-1-yloxyacetamide
SMILESCN(C(=O)COc1nncc2ccccc12)C1CCCCC1
InChIInChI=1S/C17H21N3O2/c1-20(14-8-3-2-4-9-14)16(21)12-22-17-15-10-6-5-7-13(15)11-18-19-17/h5-7,10-11,14H,2-4,8-9,12H2,1H3
InChIKeyYIBOGHGWTXFEKV-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.80
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-phthalazin-1-yloxyacetamide

N-cyclohexyl-N-methyl-2-phthalazin-1-yloxyacetamide (PubChem CID 51142073) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-phthalazin-1-yloxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-phthalazin-1-yloxyacetamide
PubChem CID51142073
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-cyclohexyl-N-methyl-2-phthalazin-1-yloxyacetamide
SMILESCN(C(=O)COc1nncc2ccccc12)C1CCCCC1
InChIInChI=1S/C17H21N3O2/c1-20(14-8-3-2-4-9-14)16(21)12-22-17-15-10-6-5-7-13(15)11-18-19-17/h5-7,10-11,14H,2-4,8-9,12H2,1H3
InChIKeyYIBOGHGWTXFEKV-UHFFFAOYSA-N
XLogP2.80
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-phthalazin-1-yloxyacetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-phthalazin-1-yloxyacetamide (CID 51142073) is N-cyclohexyl-N-methyl-2-phthalazin-1-yloxyacetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-phthalazin-1-yloxyacetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-phthalazin-1-yloxyacetamide is CN(C(=O)COc1nncc2ccccc12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-phthalazin-1-yloxyacetamide?
The InChIKey is YIBOGHGWTXFEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20(14-8-3-2-4-9-14)16(21)12-22-17-15-10-6-5-7-13(15)11-18-19-17/h5-7,10-11,14H,2-4,8-9,12H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-phthalazin-1-yloxyacetamide?
N-cyclohexyl-N-methyl-2-phthalazin-1-yloxyacetamide has a molecular weight of 299.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-phthalazin-1-yloxyacetamide is sourced from PubChem (CID 51142073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).