N-[2,6-di(propan-2-yl)phenyl]-2-phthalazin-1-yloxyacetamide

C22H25N3O2 — CID 6407567

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-phthalazin-1-yloxyacetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)COc1nncc2ccccc12
InChIInChI=1S/C22H25N3O2/c1-14(2)17-10-7-11-18(15(3)4)21(17)24-20(26)13-27-22-19-9-6-5-8-16(19)12-23-25-22/h5-12,14-15H,13H2,1-4H3,(H,24,26)
InChIKeyGCKXQISLHUXKJM-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.89
Rot. Bonds6

About N-[2,6-di(propan-2-yl)phenyl]-2-phthalazin-1-yloxyacetamide

N-[2,6-di(propan-2-yl)phenyl]-2-phthalazin-1-yloxyacetamide (PubChem CID 6407567) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-phthalazin-1-yloxyacetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-phthalazin-1-yloxyacetamide
PubChem CID6407567
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-phthalazin-1-yloxyacetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)COc1nncc2ccccc12
InChIInChI=1S/C22H25N3O2/c1-14(2)17-10-7-11-18(15(3)4)21(17)24-20(26)13-27-22-19-9-6-5-8-16(19)12-23-25-22/h5-12,14-15H,13H2,1-4H3,(H,24,26)
InChIKeyGCKXQISLHUXKJM-UHFFFAOYSA-N
XLogP4.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-phthalazin-1-yloxyacetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-phthalazin-1-yloxyacetamide (CID 6407567) is N-[2,6-di(propan-2-yl)phenyl]-2-phthalazin-1-yloxyacetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-phthalazin-1-yloxyacetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-phthalazin-1-yloxyacetamide is CC(C)c1cccc(C(C)C)c1NC(=O)COc1nncc2ccccc12.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-phthalazin-1-yloxyacetamide?
The InChIKey is GCKXQISLHUXKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14(2)17-10-7-11-18(15(3)4)21(17)24-20(26)13-27-22-19-9-6-5-8-16(19)12-23-25-22/h5-12,14-15H,13H2,1-4H3,(H,24,26).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-phthalazin-1-yloxyacetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-phthalazin-1-yloxyacetamide has a molecular weight of 363.46 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-phthalazin-1-yloxyacetamide is sourced from PubChem (CID 6407567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).