2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide

C17H28N4O3 — CID 56903637

IUPAC2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide
SMILESCCC(C)(C)C(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1
InChIInChI=1S/C17H28N4O3/c1-5-17(2,3)16(23)18-7-6-14-12-21(8-9-24-14)13-10-15(22)20(4)19-11-13/h10-11,14H,5-9,12H2,1-4H3,(H,18,23)
InChIKeyVBYOYGAFRPUBRC-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.93
Rot. Bonds6

About 2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide

2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide (PubChem CID 56903637) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide
PubChem CID56903637
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide
SMILESCCC(C)(C)C(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1
InChIInChI=1S/C17H28N4O3/c1-5-17(2,3)16(23)18-7-6-14-12-21(8-9-24-14)13-10-15(22)20(4)19-11-13/h10-11,14H,5-9,12H2,1-4H3,(H,18,23)
InChIKeyVBYOYGAFRPUBRC-UHFFFAOYSA-N
XLogP0.93
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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CID 53202153
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide (CID 56903637) is 2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide is CCC(C)(C)C(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1.
What is the InChIKey of 2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide?
The InChIKey is VBYOYGAFRPUBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-5-17(2,3)16(23)18-7-6-14-12-21(8-9-24-14)13-10-15(22)20(4)19-11-13/h10-11,14H,5-9,12H2,1-4H3,(H,18,23).
What are the key properties of 2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide?
2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide has a molecular weight of 336.44 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide is sourced from PubChem (CID 56903637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).