2-(3-ethyl-4-oxophthalazin-1-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide

C20H28N4O3 — CID 51593829

IUPAC2-(3-ethyl-4-oxophthalazin-1-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide
SMILESCC[C@H](CN1CCOCC1)NC(=O)Cc1nn(CC)c(=O)c2ccccc12
InChIInChI=1S/C20H28N4O3/c1-3-15(14-23-9-11-27-12-10-23)21-19(25)13-18-16-7-5-6-8-17(16)20(26)24(4-2)22-18/h5-8,15H,3-4,9-14H2,1-2H3,(H,21,25)/t15-/m1/s1
InChIKeyMRRLWDMPGPPKDE-OAHLLOKOSA-N
MW372.47 g/mol
LogP1.19
Rot. Bonds7

About 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide

2-(3-ethyl-4-oxophthalazin-1-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide (PubChem CID 51593829) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxophthalazin-1-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide
PubChem CID51593829
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-(3-ethyl-4-oxophthalazin-1-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide
SMILESCC[C@H](CN1CCOCC1)NC(=O)Cc1nn(CC)c(=O)c2ccccc12
InChIInChI=1S/C20H28N4O3/c1-3-15(14-23-9-11-27-12-10-23)21-19(25)13-18-16-7-5-6-8-17(16)20(26)24(4-2)22-18/h5-8,15H,3-4,9-14H2,1-2H3,(H,21,25)/t15-/m1/s1
InChIKeyMRRLWDMPGPPKDE-OAHLLOKOSA-N
XLogP1.19
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide with MolForge

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Related Compounds

N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(3-ethyl-4-oxophthalazin-1-yl)acetamide
CID 46950501
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]acetamide
CID 91821014
ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate
CID 872390
2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide
CID 51872361
2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid
CID 153189612
2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide
CID 16673953
2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]acetamide
CID 16671484
4-(aminomethyl)-2-ethylphthalazin-1-one
CID 819195
3-methyl-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)butanamide
CID 56787230
3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide
CID 95621532
1-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-3-(2-morpholin-4-ylethyl)thiourea
CID 8746128
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2S)-1-morpholin-4-ylbutan-2-yl]acetamide
CID 51593800

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide?
The IUPAC name of 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide (CID 51593829) is 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide?
The canonical SMILES for 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide is CC[C@H](CN1CCOCC1)NC(=O)Cc1nn(CC)c(=O)c2ccccc12.
What is the InChIKey of 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide?
The InChIKey is MRRLWDMPGPPKDE-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-3-15(14-23-9-11-27-12-10-23)21-19(25)13-18-16-7-5-6-8-17(16)20(26)24(4-2)22-18/h5-8,15H,3-4,9-14H2,1-2H3,(H,21,25)/t15-/m1/s1.
What are the key properties of 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide?
2-(3-ethyl-4-oxophthalazin-1-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide is sourced from PubChem (CID 51593829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).