3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide

C25H30N4O3 — CID 167831678

IUPAC3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C1
InChIInChI=1S/C25H30N4O3/c1-18(2)15-28-12-13-32-20(17-28)14-26-24(30)23-21-10-6-7-11-22(21)25(31)29(27-23)16-19-8-4-3-5-9-19/h3-11,18,20H,12-17H2,1-2H3,(H,26,30)
InChIKeyKRHOQMKCKKSBPT-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.53
Rot. Bonds7

About 3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide

3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide (PubChem CID 167831678) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide
PubChem CID167831678
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C1
InChIInChI=1S/C25H30N4O3/c1-18(2)15-28-12-13-32-20(17-28)14-26-24(30)23-21-10-6-7-11-22(21)25(31)29(27-23)16-19-8-4-3-5-9-19/h3-11,18,20H,12-17H2,1-2H3,(H,26,30)
InChIKeyKRHOQMKCKKSBPT-UHFFFAOYSA-N
XLogP2.53
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide with MolForge

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Related Compounds

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46684563
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 94014996
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indazole-3-carboxamide
CID 30538306
3-benzyl-N-(cyclopentylmethyl)-4-oxophthalazine-1-carboxamide
CID 39211839
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 39485748
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 75466609
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
1-benzyl-3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiourea
CID 9283755
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide
CID 47013454
1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]indole-3-carboxamide
CID 46576275
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
3-[[(2S)-2-ethylmorpholin-4-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide
CID 34895099

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide (CID 167831678) is 3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide is CC(C)CN1CCOC(CNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C1.
What is the InChIKey of 3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide?
The InChIKey is KRHOQMKCKKSBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-18(2)15-28-12-13-32-20(17-28)14-26-24(30)23-21-10-6-7-11-22(21)25(31)29(27-23)16-19-8-4-3-5-9-19/h3-11,18,20H,12-17H2,1-2H3,(H,26,30).
What are the key properties of 3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide?
3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 167831678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).