N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C21H20N4O4 — CID 48735822

IUPACN-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(CNC(=O)C1CCCc2ccccc21)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C21H20N4O4/c26-17(23-16-10-4-9-15-18(16)21(29)25-24-20(15)28)11-22-19(27)14-8-3-6-12-5-1-2-7-13(12)14/h1-2,4-5,7,9-10,14H,3,6,8,11H2,(H,22,27)(H,23,26)(H,24,28)(H,25,29)
InChIKeyMGHBRNMVGKDILJ-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.39
Rot. Bonds4

About N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 48735822) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID48735822
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(CNC(=O)C1CCCc2ccccc21)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C21H20N4O4/c26-17(23-16-10-4-9-15-18(16)21(29)25-24-20(15)28)11-22-19(27)14-8-3-6-12-5-1-2-7-13(12)14/h1-2,4-5,7,9-10,14H,3,6,8,11H2,(H,22,27)(H,23,26)(H,24,28)(H,25,29)
InChIKeyMGHBRNMVGKDILJ-UHFFFAOYSA-N
XLogP1.39
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 39983733
N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946726
2-cyclohexyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide
CID 48735915
N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide
CID 48735845
1-cyclopentyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]piperidine-2-carboxamide
CID 167915311
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 48502605
N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64991886
N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134063134
4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide
CID 48735941
N-[(3-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 61150664
N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43600014
N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 107318401

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 48735822) is N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is O=C(CNC(=O)C1CCCc2ccccc21)Nc1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is MGHBRNMVGKDILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c26-17(23-16-10-4-9-15-18(16)21(29)25-24-20(15)28)11-22-19(27)14-8-3-6-12-5-1-2-7-13(12)14/h1-2,4-5,7,9-10,14H,3,6,8,11H2,(H,22,27)(H,23,26)(H,24,28)(H,25,29).
What are the key properties of N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 1.39, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 48735822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).