N,N-diethyl-2-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]propanamide

C16H28N4O2 — CID 71928663

IUPACN,N-diethyl-2-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCC1CCOC1c1cnn(C)c1
InChIInChI=1S/C16H28N4O2/c1-5-20(6-2)16(21)12(3)17-9-13-7-8-22-15(13)14-10-18-19(4)11-14/h10-13,15,17H,5-9H2,1-4H3
InChIKeyJLVGQORYEKBQGG-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.34
Rot. Bonds7

About N,N-diethyl-2-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]propanamide

N,N-diethyl-2-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]propanamide (PubChem CID 71928663) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N,N-diethyl-2-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]propanamide
PubChem CID71928663
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN,N-diethyl-2-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCC1CCOC1c1cnn(C)c1
InChIInChI=1S/C16H28N4O2/c1-5-20(6-2)16(21)12(3)17-9-13-7-8-22-15(13)14-10-18-19(4)11-14/h10-13,15,17H,5-9H2,1-4H3
InChIKeyJLVGQORYEKBQGG-UHFFFAOYSA-N
XLogP1.34
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-2-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]propanamide?
The IUPAC name of N,N-diethyl-2-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]propanamide (CID 71928663) is N,N-diethyl-2-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]propanamide?
The canonical SMILES for N,N-diethyl-2-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]propanamide is CCN(CC)C(=O)C(C)NCC1CCOC1c1cnn(C)c1.
What is the InChIKey of N,N-diethyl-2-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]propanamide?
The InChIKey is JLVGQORYEKBQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-5-20(6-2)16(21)12(3)17-9-13-7-8-22-15(13)14-10-18-19(4)11-14/h10-13,15,17H,5-9H2,1-4H3.
What are the key properties of N,N-diethyl-2-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]propanamide?
N,N-diethyl-2-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]propanamide has a molecular weight of 308.43 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]propanamide is sourced from PubChem (CID 71928663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).