N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-hydroxy-N-methyl-3-(1-methylpyrazol-4-yl)propanamide

C16H28N4O3 — CID 172640785

IUPACN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-hydroxy-N-methyl-3-(1-methylpyrazol-4-yl)propanamide
SMILESCN(CCN1CCOC(C)(C)C1)C(=O)C(O)Cc1cnn(C)c1
InChIInChI=1S/C16H28N4O3/c1-16(2)12-20(7-8-23-16)6-5-18(3)15(22)14(21)9-13-10-17-19(4)11-13/h10-11,14,21H,5-9,12H2,1-4H3
InChIKeyIRLPVCBIAMWLIY-UHFFFAOYSA-N
MW324.43 g/mol
LogP-0.11
Rot. Bonds6

About N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-hydroxy-N-methyl-3-(1-methylpyrazol-4-yl)propanamide

N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-hydroxy-N-methyl-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 172640785) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-hydroxy-N-methyl-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-hydroxy-N-methyl-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID172640785
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC NameN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-hydroxy-N-methyl-3-(1-methylpyrazol-4-yl)propanamide
SMILESCN(CCN1CCOC(C)(C)C1)C(=O)C(O)Cc1cnn(C)c1
InChIInChI=1S/C16H28N4O3/c1-16(2)12-20(7-8-23-16)6-5-18(3)15(22)14(21)9-13-10-17-19(4)11-13/h10-11,14,21H,5-9,12H2,1-4H3
InChIKeyIRLPVCBIAMWLIY-UHFFFAOYSA-N
XLogP-0.11
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-hydroxy-N-methyl-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-hydroxy-N-methyl-3-(1-methylpyrazol-4-yl)propanamide (CID 172640785) is N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-hydroxy-N-methyl-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-hydroxy-N-methyl-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-hydroxy-N-methyl-3-(1-methylpyrazol-4-yl)propanamide is CN(CCN1CCOC(C)(C)C1)C(=O)C(O)Cc1cnn(C)c1.
What is the InChIKey of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-hydroxy-N-methyl-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is IRLPVCBIAMWLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-16(2)12-20(7-8-23-16)6-5-18(3)15(22)14(21)9-13-10-17-19(4)11-13/h10-11,14,21H,5-9,12H2,1-4H3.
What are the key properties of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-hydroxy-N-methyl-3-(1-methylpyrazol-4-yl)propanamide?
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-hydroxy-N-methyl-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 324.43 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-hydroxy-N-methyl-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 172640785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).