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

C16H26N4O3 — CID 56909182

IUPAC2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
SMILESCn1ncc(N2CCOC(CCNC(=O)C(C)(C)C)C2)cc1=O
InChIInChI=1S/C16H26N4O3/c1-16(2,3)15(22)17-6-5-13-11-20(7-8-23-13)12-9-14(21)19(4)18-10-12/h9-10,13H,5-8,11H2,1-4H3,(H,17,22)
InChIKeyJXVRDTJFKUVOIZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.54
Rot. Bonds4

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

2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide (PubChem CID 56909182) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
PubChem CID56909182
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
SMILESCn1ncc(N2CCOC(CCNC(=O)C(C)(C)C)C2)cc1=O
InChIInChI=1S/C16H26N4O3/c1-16(2,3)15(22)17-6-5-13-11-20(7-8-23-13)12-9-14(21)19(4)18-10-12/h9-10,13H,5-8,11H2,1-4H3,(H,17,22)
InChIKeyJXVRDTJFKUVOIZ-UHFFFAOYSA-N
XLogP0.54
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide (CID 56909182) is 2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide is Cn1ncc(N2CCOC(CCNC(=O)C(C)(C)C)C2)cc1=O.
What is the InChIKey of 2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide?
The InChIKey is JXVRDTJFKUVOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-16(2,3)15(22)17-6-5-13-11-20(7-8-23-13)12-9-14(21)19(4)18-10-12/h9-10,13H,5-8,11H2,1-4H3,(H,17,22).
What are the key properties of 2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide?
2,2-dimethyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide has a molecular weight of 322.41 g/mol, XLogP of 0.54, 4 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]propanamide is sourced from PubChem (CID 56909182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).