N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide

C18H24N4O4 — CID 30470832

IUPACN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
SMILESC[C@@H]1CN(CCNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)C[C@H](C)O1
InChIInChI=1S/C18H24N4O4/c1-12-9-21(10-13(2)26-12)8-7-19-16(23)11-22-18(25)15-6-4-3-5-14(15)17(24)20-22/h3-6,12-13H,7-11H2,1-2H3,(H,19,23)(H,20,24)/t12-,13+
InChIKeyHXCDDZRXEUIHIF-BETUJISGSA-N
MW360.41 g/mol
LogP-0.08
Rot. Bonds5

About N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide

N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide (PubChem CID 30470832) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
PubChem CID30470832
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
SMILESC[C@@H]1CN(CCNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)C[C@H](C)O1
InChIInChI=1S/C18H24N4O4/c1-12-9-21(10-13(2)26-12)8-7-19-16(23)11-22-18(25)15-6-4-3-5-14(15)17(24)20-22/h3-6,12-13H,7-11H2,1-2H3,(H,19,23)(H,20,24)/t12-,13+
InChIKeyHXCDDZRXEUIHIF-BETUJISGSA-N
XLogP-0.08
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 39249673
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 27712493
N-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 38656580
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2450411
N-(3-butoxypropyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 27682645
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 134024203
N-[2-(1,4-dioxo-3H-phthalazin-2-yl)ethyl]-2-ethylsulfanylacetamide
CID 118775384
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 172615647
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51725576
N-[4-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 37273272
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 30594377
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]acetamide
CID 35484743

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide (CID 30470832) is N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide.
What is the SMILES notation for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The canonical SMILES for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide is C[C@@H]1CN(CCNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)C[C@H](C)O1.
What is the InChIKey of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The InChIKey is HXCDDZRXEUIHIF-BETUJISGSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-12-9-21(10-13(2)26-12)8-7-19-16(23)11-22-18(25)15-6-4-3-5-14(15)17(24)20-22/h3-6,12-13H,7-11H2,1-2H3,(H,19,23)(H,20,24)/t12-,13+.
What are the key properties of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide has a molecular weight of 360.41 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide is sourced from PubChem (CID 30470832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).