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

C14H21N3O2 — CID 59751959

IUPACN,N-diethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
SMILESCCN(CC)C(=O)Cc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C14H21N3O2/c1-3-17(4-2)13(18)9-12-10-7-5-6-8-11(10)14(19)16-15-12/h3-9H2,1-2H3,(H,16,19)
InChIKeySXWLIRLSSOKBIP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.06
Rot. Bonds4

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

N,N-diethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide (PubChem CID 59751959) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N,N-diethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
PubChem CID59751959
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN,N-diethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
SMILESCCN(CC)C(=O)Cc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C14H21N3O2/c1-3-17(4-2)13(18)9-12-10-7-5-6-8-11(10)14(19)16-15-12/h3-9H2,1-2H3,(H,16,19)
InChIKeySXWLIRLSSOKBIP-UHFFFAOYSA-N
XLogP1.06
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide (CID 59751959) is N,N-diethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide is CCN(CC)C(=O)Cc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of N,N-diethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The InChIKey is SXWLIRLSSOKBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-17(4-2)13(18)9-12-10-7-5-6-8-11(10)14(19)16-15-12/h3-9H2,1-2H3,(H,16,19).
What are the key properties of N,N-diethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
N,N-diethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 59751959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).