N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide

C20H28N4O3 — CID 17435653

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCC1CN(C(C)(C)CNC(=O)c2nn(C)c(=O)c3ccccc23)CC(C)O1
InChIInChI=1S/C20H28N4O3/c1-13-10-24(11-14(2)27-13)20(3,4)12-21-18(25)17-15-8-6-7-9-16(15)19(26)23(5)22-17/h6-9,13-14H,10-12H2,1-5H3,(H,21,25)
InChIKeyROTFGMUSMABANP-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.55
Rot. Bonds4

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 17435653) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID17435653
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCC1CN(C(C)(C)CNC(=O)c2nn(C)c(=O)c3ccccc23)CC(C)O1
InChIInChI=1S/C20H28N4O3/c1-13-10-24(11-14(2)27-13)20(3,4)12-21-18(25)17-15-8-6-7-9-16(15)19(26)23(5)22-17/h6-9,13-14H,10-12H2,1-5H3,(H,21,25)
InChIKeyROTFGMUSMABANP-UHFFFAOYSA-N
XLogP1.55
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1H-indazole-3-carboxamide
CID 29302728
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 2486658
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide
CID 29299185
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 47019977
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-3-carboxamide
CID 29302135
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-3-carboxamide
CID 29302140
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-2-carboxamide
CID 29297646
2-(3-chlorophenyl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methyltriazole-4-carboxamide
CID 51648227
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 47020165
2-(difluoromethoxy)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 29303216
3-methyl-4-oxo-N-prop-2-enylphthalazine-1-carboxamide
CID 2449801
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide
CID 29294243

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide (CID 17435653) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide is CC1CN(C(C)(C)CNC(=O)c2nn(C)c(=O)c3ccccc23)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is ROTFGMUSMABANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-13-10-24(11-14(2)27-13)20(3,4)12-21-18(25)17-15-8-6-7-9-16(15)19(26)23(5)22-17/h6-9,13-14H,10-12H2,1-5H3,(H,21,25).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 17435653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).