2,2-dimethyl-N-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]propanamide

C17H22N4O — CID 171323570

IUPAC2,2-dimethyl-N-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]propanamide
SMILESCc1nnc(N2CC(NC(=O)C(C)(C)C)C2)c2ccccc12
InChIInChI=1S/C17H22N4O/c1-11-13-7-5-6-8-14(13)15(20-19-11)21-9-12(10-21)18-16(22)17(2,3)4/h5-8,12H,9-10H2,1-4H3,(H,18,22)
InChIKeyMZDFFSYZEMLOGM-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.29
Rot. Bonds2

About 2,2-dimethyl-N-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]propanamide

2,2-dimethyl-N-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]propanamide (PubChem CID 171323570) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]propanamide
PubChem CID171323570
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2,2-dimethyl-N-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]propanamide
SMILESCc1nnc(N2CC(NC(=O)C(C)(C)C)C2)c2ccccc12
InChIInChI=1S/C17H22N4O/c1-11-13-7-5-6-8-14(13)15(20-19-11)21-9-12(10-21)18-16(22)17(2,3)4/h5-8,12H,9-10H2,1-4H3,(H,18,22)
InChIKeyMZDFFSYZEMLOGM-UHFFFAOYSA-N
XLogP2.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]propanamide (CID 171323570) is 2,2-dimethyl-N-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]propanamide is Cc1nnc(N2CC(NC(=O)C(C)(C)C)C2)c2ccccc12.
What is the InChIKey of 2,2-dimethyl-N-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]propanamide?
The InChIKey is MZDFFSYZEMLOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11-13-7-5-6-8-14(13)15(20-19-11)21-9-12(10-21)18-16(22)17(2,3)4/h5-8,12H,9-10H2,1-4H3,(H,18,22).
What are the key properties of 2,2-dimethyl-N-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]propanamide?
2,2-dimethyl-N-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]propanamide is sourced from PubChem (CID 171323570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).