2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide

C20H28N4O2 — CID 120788646

IUPAC2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C20H28N4O2/c1-24(20(25)19(21)16-9-12-26-13-10-16)11-5-8-17-14-18(23-22-17)15-6-3-2-4-7-15/h2-4,6-7,14,16,19H,5,8-13,21H2,1H3,(H,22,23)
InChIKeyFXWQQBXPARBMPH-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.22
Rot. Bonds7

About 2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide

2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide (PubChem CID 120788646) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
PubChem CID120788646
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C(N)C1CCOCC1
InChIInChI=1S/C20H28N4O2/c1-24(20(25)19(21)16-9-12-26-13-10-16)11-5-8-17-14-18(23-22-17)15-6-3-2-4-7-15/h2-4,6-7,14,16,19H,5,8-13,21H2,1H3,(H,22,23)
InChIKeyFXWQQBXPARBMPH-UHFFFAOYSA-N
XLogP2.22
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide?
The IUPAC name of 2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide (CID 120788646) is 2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide is CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide?
The InChIKey is FXWQQBXPARBMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-24(20(25)19(21)16-9-12-26-13-10-16)11-5-8-17-14-18(23-22-17)15-6-3-2-4-7-15/h2-4,6-7,14,16,19H,5,8-13,21H2,1H3,(H,22,23).
What are the key properties of 2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide?
2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-2-(oxan-4-yl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide is sourced from PubChem (CID 120788646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).