N-[2-(7-methoxyphthalazin-1-yl)ethyl]propanamide

C14H17N3O2 — CID 162647716

IUPACN-[2-(7-methoxyphthalazin-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1nncc2ccc(OC)cc12
InChIInChI=1S/C14H17N3O2/c1-3-14(18)15-7-6-13-12-8-11(19-2)5-4-10(12)9-16-17-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,18)
InChIKeyBROGTHILAVJTAU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.71
Rot. Bonds5

About N-[2-(7-methoxyphthalazin-1-yl)ethyl]propanamide

N-[2-(7-methoxyphthalazin-1-yl)ethyl]propanamide (PubChem CID 162647716) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-(7-methoxyphthalazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(7-methoxyphthalazin-1-yl)ethyl]propanamide
PubChem CID162647716
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[2-(7-methoxyphthalazin-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1nncc2ccc(OC)cc12
InChIInChI=1S/C14H17N3O2/c1-3-14(18)15-7-6-13-12-8-11(19-2)5-4-10(12)9-16-17-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,18)
InChIKeyBROGTHILAVJTAU-UHFFFAOYSA-N
XLogP1.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxyphthalazin-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(7-methoxyphthalazin-1-yl)ethyl]propanamide (CID 162647716) is N-[2-(7-methoxyphthalazin-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(7-methoxyphthalazin-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(7-methoxyphthalazin-1-yl)ethyl]propanamide is CCC(=O)NCCc1nncc2ccc(OC)cc12.
What is the InChIKey of N-[2-(7-methoxyphthalazin-1-yl)ethyl]propanamide?
The InChIKey is BROGTHILAVJTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-14(18)15-7-6-13-12-8-11(19-2)5-4-10(12)9-16-17-13/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(7-methoxyphthalazin-1-yl)ethyl]propanamide?
N-[2-(7-methoxyphthalazin-1-yl)ethyl]propanamide has a molecular weight of 259.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxyphthalazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 162647716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).