N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide

C13H20N4O2 — CID 66966583

IUPACN-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide
SMILESNCCNC(=O)CCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C13H20N4O2/c14-7-8-15-12(18)6-5-11-9-3-1-2-4-10(9)13(19)17-16-11/h1-8,14H2,(H,15,18)(H,17,19)
InChIKeyZOYGMRNKNKPEEE-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.34
Rot. Bonds5

About N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide

N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide (PubChem CID 66966583) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide
PubChem CID66966583
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide
SMILESNCCNC(=O)CCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C13H20N4O2/c14-7-8-15-12(18)6-5-11-9-3-1-2-4-10(9)13(19)17-16-11/h1-8,14H2,(H,15,18)(H,17,19)
InChIKeyZOYGMRNKNKPEEE-UHFFFAOYSA-N
XLogP-0.34
TPSA100.87 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 ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-(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
N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]propanamide
CID 59751938

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide (CID 66966583) is N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide is NCCNC(=O)CCc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide?
The InChIKey is ZOYGMRNKNKPEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-7-8-15-12(18)6-5-11-9-3-1-2-4-10(9)13(19)17-16-11/h1-8,14H2,(H,15,18)(H,17,19).
What are the key properties of N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide?
N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide has a molecular weight of 264.33 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)propanamide is sourced from PubChem (CID 66966583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).