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

C13H20N4O2 — CID 66966561

IUPACN-[2-(methylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
SMILESCNCCNC(=O)Cc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C13H20N4O2/c1-14-6-7-15-12(18)8-11-9-4-2-3-5-10(9)13(19)17-16-11/h14H,2-8H2,1H3,(H,15,18)(H,17,19)
InChIKeyXTRYQJCRMIZVBL-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.47
Rot. Bonds5

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

N-[2-(methylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide (PubChem CID 66966561) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
PubChem CID66966561
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[2-(methylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
SMILESCNCCNC(=O)Cc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C13H20N4O2/c1-14-6-7-15-12(18)8-11-9-4-2-3-5-10(9)13(19)17-16-11/h14H,2-8H2,1H3,(H,15,18)(H,17,19)
InChIKeyXTRYQJCRMIZVBL-UHFFFAOYSA-N
XLogP-0.47
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.47
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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Related Compounds

Tert-butyl 2-((4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)methyl)piperazine-1-carboxylate
CID 69043464
4-(Piperazin-2-ylmethyl)-5,6,7,8-tetrahydrophthalazin-1(2h)-one
CID 69043912
4-(ethylaminomethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751873
N-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]propanamide
CID 59751882
N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
CID 59751900
N-ethyl-N-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
CID 59751915
4-[2-(ethylamino)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751916
4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751918
N-ethyl-2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetamide
CID 59751919
N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-propan-2-ylacetamide
CID 59751923
4-[3-(ethylamino)propyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751924
N-[2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)ethyl]propanamide
CID 59751935

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[2-(methylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide (CID 66966561) is N-[2-(methylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide is CNCCNC(=O)Cc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of N-[2-(methylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The InChIKey is XTRYQJCRMIZVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-14-6-7-15-12(18)8-11-9-4-2-3-5-10(9)13(19)17-16-11/h14H,2-8H2,1H3,(H,15,18)(H,17,19).
What are the key properties of N-[2-(methylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
N-[2-(methylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide has a molecular weight of 264.33 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 66966561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).