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

C12H18N4O2 — CID 66966042

IUPAC2-amino-N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]acetamide
SMILESNCC(=O)NCCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C12H18N4O2/c13-7-11(17)14-6-5-10-8-3-1-2-4-9(8)12(18)16-15-10/h1-7,13H2,(H,14,17)(H,16,18)
InChIKeyDKQZIAUXPIIBEH-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.73
Rot. Bonds4

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

2-amino-N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]acetamide (PubChem CID 66966042) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-amino-N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]acetamide
PubChem CID66966042
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-amino-N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]acetamide
SMILESNCC(=O)NCCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C12H18N4O2/c13-7-11(17)14-6-5-10-8-3-1-2-4-9(8)12(18)16-15-10/h1-7,13H2,(H,14,17)(H,16,18)
InChIKeyDKQZIAUXPIIBEH-UHFFFAOYSA-N
XLogP-0.73
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]propanamide
CID 59751938
N,N-diethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
CID 59751959
N-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
CID 59825244

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]acetamide (CID 66966042) is 2-amino-N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]acetamide is NCC(=O)NCCc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of 2-amino-N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]acetamide?
The InChIKey is DKQZIAUXPIIBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-7-11(17)14-6-5-10-8-3-1-2-4-9(8)12(18)16-15-10/h1-7,13H2,(H,14,17)(H,16,18).
What are the key properties of 2-amino-N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]acetamide?
2-amino-N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]acetamide has a molecular weight of 250.30 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 66966042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).