N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-propan-2-ylacetamide

C15H23N3O2 — CID 59751923

IUPACN-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-propan-2-ylacetamide
SMILESCCN(C(=O)Cc1n[nH]c(=O)c2c1CCCC2)C(C)C
InChIInChI=1S/C15H23N3O2/c1-4-18(10(2)3)14(19)9-13-11-7-5-6-8-12(11)15(20)17-16-13/h10H,4-9H2,1-3H3,(H,17,20)
InChIKeyBEXCMIBLAVFVTM-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.45
Rot. Bonds4

About N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-propan-2-ylacetamide

N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-propan-2-ylacetamide (PubChem CID 59751923) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-propan-2-ylacetamide
PubChem CID59751923
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-propan-2-ylacetamide
SMILESCCN(C(=O)Cc1n[nH]c(=O)c2c1CCCC2)C(C)C
InChIInChI=1S/C15H23N3O2/c1-4-18(10(2)3)14(19)9-13-11-7-5-6-8-12(11)15(20)17-16-13/h10H,4-9H2,1-3H3,(H,17,20)
InChIKeyBEXCMIBLAVFVTM-UHFFFAOYSA-N
XLogP1.45
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-propan-2-ylacetamide (CID 59751923) is N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-propan-2-ylacetamide is CCN(C(=O)Cc1n[nH]c(=O)c2c1CCCC2)C(C)C.
What is the InChIKey of N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is BEXCMIBLAVFVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-18(10(2)3)14(19)9-13-11-7-5-6-8-12(11)15(20)17-16-13/h10H,4-9H2,1-3H3,(H,17,20).
What are the key properties of N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-propan-2-ylacetamide?
N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 277.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 59751923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).