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

C16H26N4O4 — CID 95716344

IUPAC2-methoxy-2-methyl-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
SMILESCOC(C)(C)C(=O)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1
InChIInChI=1S/C16H26N4O4/c1-16(2,23-4)15(22)17-6-5-13-11-20(7-8-24-13)12-9-14(21)19(3)18-10-12/h9-10,13H,5-8,11H2,1-4H3,(H,17,22)/t13-/m0/s1
InChIKeyDQRUEJNOCSIQFB-ZDUSSCGKSA-N
MW338.41 g/mol
LogP-0.08
Rot. Bonds6

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

2-methoxy-2-methyl-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide (PubChem CID 95716344) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
PubChem CID95716344
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name2-methoxy-2-methyl-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
SMILESCOC(C)(C)C(=O)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1
InChIInChI=1S/C16H26N4O4/c1-16(2,23-4)15(22)17-6-5-13-11-20(7-8-24-13)12-9-14(21)19(3)18-10-12/h9-10,13H,5-8,11H2,1-4H3,(H,17,22)/t13-/m0/s1
InChIKeyDQRUEJNOCSIQFB-ZDUSSCGKSA-N
XLogP-0.08
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide?
The IUPAC name of 2-methoxy-2-methyl-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide (CID 95716344) is 2-methoxy-2-methyl-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide.
What is the SMILES notation for 2-methoxy-2-methyl-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide?
The canonical SMILES for 2-methoxy-2-methyl-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide is COC(C)(C)C(=O)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1.
What is the InChIKey of 2-methoxy-2-methyl-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide?
The InChIKey is DQRUEJNOCSIQFB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-16(2,23-4)15(22)17-6-5-13-11-20(7-8-24-13)12-9-14(21)19(3)18-10-12/h9-10,13H,5-8,11H2,1-4H3,(H,17,22)/t13-/m0/s1.
What are the key properties of 2-methoxy-2-methyl-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide?
2-methoxy-2-methyl-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide has a molecular weight of 338.41 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide is sourced from PubChem (CID 95716344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).