3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide

C20H20N4O4 — CID 36544756

IUPAC3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
SMILESCNC(=O)Cc1ccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cc1
InChIInChI=1S/C20H20N4O4/c1-21-18(26)12-13-6-8-14(9-7-13)22-17(25)10-11-24-20(28)16-5-3-2-4-15(16)19(27)23-24/h2-9H,10-12H2,1H3,(H,21,26)(H,22,25)(H,23,27)
InChIKeySYOPXPZQDHBSGS-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.01
Rot. Bonds6

About 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide

3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide (PubChem CID 36544756) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
PubChem CID36544756
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
SMILESCNC(=O)Cc1ccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cc1
InChIInChI=1S/C20H20N4O4/c1-21-18(26)12-13-6-8-14(9-7-13)22-17(25)10-11-24-20(28)16-5-3-2-4-15(16)19(27)23-24/h2-9H,10-12H2,1H3,(H,21,26)(H,22,25)(H,23,27)
InChIKeySYOPXPZQDHBSGS-UHFFFAOYSA-N
XLogP1.01
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 78804551
N-(3,5-difluorophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 24530023
butyl 4-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]benzoate
CID 27844184
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 40723461
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 51116034
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide
CID 40711272
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 37246021
N-(2-anilinophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 112773070
(2R)-2-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]propanoic acid
CID 119243859
N-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 40671948
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide
CID 86872777
3-(1,4-dioxo-3H-phthalazin-2-yl)propanoic acid
CID 931527

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide?
The IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide (CID 36544756) is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide.
What is the SMILES notation for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide?
The canonical SMILES for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide is CNC(=O)Cc1ccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cc1.
What is the InChIKey of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide?
The InChIKey is SYOPXPZQDHBSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-21-18(26)12-13-6-8-14(9-7-13)22-17(25)10-11-24-20(28)16-5-3-2-4-15(16)19(27)23-24/h2-9H,10-12H2,1H3,(H,21,26)(H,22,25)(H,23,27).
What are the key properties of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide?
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide has a molecular weight of 380.40 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide is sourced from PubChem (CID 36544756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).