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

C14H22N4O2 — CID 66966360

IUPACN-[2-(ethylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
SMILESCCNCCNC(=O)Cc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C14H22N4O2/c1-2-15-7-8-16-13(19)9-12-10-5-3-4-6-11(10)14(20)18-17-12/h15H,2-9H2,1H3,(H,16,19)(H,18,20)
InChIKeyMSNCZHFYMHENCS-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.08
Rot. Bonds6

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

N-[2-(ethylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide (PubChem CID 66966360) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
PubChem CID66966360
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[2-(ethylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
SMILESCCNCCNC(=O)Cc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C14H22N4O2/c1-2-15-7-8-16-13(19)9-12-10-5-3-4-6-11(10)14(20)18-17-12/h15H,2-9H2,1H3,(H,16,19)(H,18,20)
InChIKeyMSNCZHFYMHENCS-UHFFFAOYSA-N
XLogP-0.08
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.08
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-(ethylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide (CID 66966360) is N-[2-(ethylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide is CCNCCNC(=O)Cc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The InChIKey is MSNCZHFYMHENCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-15-7-8-16-13(19)9-12-10-5-3-4-6-11(10)14(20)18-17-12/h15H,2-9H2,1H3,(H,16,19)(H,18,20).
What are the key properties of N-[2-(ethylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
N-[2-(ethylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide has a molecular weight of 278.36 g/mol, XLogP of -0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 66966360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).