N-[2-(benzylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide

C19H24N4O2 — CID 66966085

IUPACN-[2-(benzylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2c1CCCC2)NCCNCc1ccccc1
InChIInChI=1S/C19H24N4O2/c24-18(21-11-10-20-13-14-6-2-1-3-7-14)12-17-15-8-4-5-9-16(15)19(25)23-22-17/h1-3,6-7,20H,4-5,8-13H2,(H,21,24)(H,23,25)
InChIKeyYIZIJPRIHMCIPO-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.10
Rot. Bonds7

About N-[2-(benzylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide

N-[2-(benzylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide (PubChem CID 66966085) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-(benzylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(benzylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
PubChem CID66966085
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[2-(benzylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2c1CCCC2)NCCNCc1ccccc1
InChIInChI=1S/C19H24N4O2/c24-18(21-11-10-20-13-14-6-2-1-3-7-14)12-17-15-8-4-5-9-16(15)19(25)23-22-17/h1-3,6-7,20H,4-5,8-13H2,(H,21,24)(H,23,25)
InChIKeyYIZIJPRIHMCIPO-UHFFFAOYSA-N
XLogP1.10
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[2-(benzylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide (CID 66966085) is N-[2-(benzylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(benzylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[2-(benzylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide is O=C(Cc1n[nH]c(=O)c2c1CCCC2)NCCNCc1ccccc1.
What is the InChIKey of N-[2-(benzylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The InChIKey is YIZIJPRIHMCIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(21-11-10-20-13-14-6-2-1-3-7-14)12-17-15-8-4-5-9-16(15)19(25)23-22-17/h1-3,6-7,20H,4-5,8-13H2,(H,21,24)(H,23,25).
What are the key properties of N-[2-(benzylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
N-[2-(benzylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide has a molecular weight of 340.43 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 66966085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).