2-(4-propan-2-ylmorpholin-2-yl)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide

C18H32N4O2 — CID 131900926

IUPAC2-(4-propan-2-ylmorpholin-2-yl)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide
SMILESCc1nn(CCCNC(=O)CC2CN(C(C)C)CCO2)c(C)c1C
InChIInChI=1S/C18H32N4O2/c1-13(2)21-9-10-24-17(12-21)11-18(23)19-7-6-8-22-16(5)14(3)15(4)20-22/h13,17H,6-12H2,1-5H3,(H,19,23)
InChIKeyLMPCXLFGCPLDNV-UHFFFAOYSA-N
MW336.48 g/mol
LogP1.81
Rot. Bonds7

About 2-(4-propan-2-ylmorpholin-2-yl)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide

2-(4-propan-2-ylmorpholin-2-yl)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide (PubChem CID 131900926) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-(4-propan-2-ylmorpholin-2-yl)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylmorpholin-2-yl)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide
PubChem CID131900926
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name2-(4-propan-2-ylmorpholin-2-yl)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide
SMILESCc1nn(CCCNC(=O)CC2CN(C(C)C)CCO2)c(C)c1C
InChIInChI=1S/C18H32N4O2/c1-13(2)21-9-10-24-17(12-21)11-18(23)19-7-6-8-22-16(5)14(3)15(4)20-22/h13,17H,6-12H2,1-5H3,(H,19,23)
InChIKeyLMPCXLFGCPLDNV-UHFFFAOYSA-N
XLogP1.81
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylmorpholin-2-yl)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-propan-2-ylmorpholin-2-yl)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide (CID 131900926) is 2-(4-propan-2-ylmorpholin-2-yl)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-propan-2-ylmorpholin-2-yl)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-propan-2-ylmorpholin-2-yl)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide is Cc1nn(CCCNC(=O)CC2CN(C(C)C)CCO2)c(C)c1C.
What is the InChIKey of 2-(4-propan-2-ylmorpholin-2-yl)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide?
The InChIKey is LMPCXLFGCPLDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-13(2)21-9-10-24-17(12-21)11-18(23)19-7-6-8-22-16(5)14(3)15(4)20-22/h13,17H,6-12H2,1-5H3,(H,19,23).
What are the key properties of 2-(4-propan-2-ylmorpholin-2-yl)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide?
2-(4-propan-2-ylmorpholin-2-yl)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide has a molecular weight of 336.48 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylmorpholin-2-yl)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 131900926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).