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

C15H26N4O2 — CID 125163242

IUPAC2-[(2S)-morpholin-2-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide
SMILESCc1nn(CCCNC(=O)C[C@H]2CNCCO2)c(C)c1C
InChIInChI=1S/C15H26N4O2/c1-11-12(2)18-19(13(11)3)7-4-5-17-15(20)9-14-10-16-6-8-21-14/h14,16H,4-10H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKeyMMUHRZXNPNLVMV-AWEZNQCLSA-N
MW294.40 g/mol
LogP0.69
Rot. Bonds6

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

2-[(2S)-morpholin-2-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide (PubChem CID 125163242) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[(2S)-morpholin-2-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-morpholin-2-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide
PubChem CID125163242
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-[(2S)-morpholin-2-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide
SMILESCc1nn(CCCNC(=O)C[C@H]2CNCCO2)c(C)c1C
InChIInChI=1S/C15H26N4O2/c1-11-12(2)18-19(13(11)3)7-4-5-17-15(20)9-14-10-16-6-8-21-14/h14,16H,4-10H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKeyMMUHRZXNPNLVMV-AWEZNQCLSA-N
XLogP0.69
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
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-[(2S)-morpholin-2-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide?
The IUPAC name of 2-[(2S)-morpholin-2-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide (CID 125163242) is 2-[(2S)-morpholin-2-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[(2S)-morpholin-2-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-[(2S)-morpholin-2-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide is Cc1nn(CCCNC(=O)C[C@H]2CNCCO2)c(C)c1C.
What is the InChIKey of 2-[(2S)-morpholin-2-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide?
The InChIKey is MMUHRZXNPNLVMV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11-12(2)18-19(13(11)3)7-4-5-17-15(20)9-14-10-16-6-8-21-14/h14,16H,4-10H2,1-3H3,(H,17,20)/t14-/m0/s1.
What are the key properties of 2-[(2S)-morpholin-2-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide?
2-[(2S)-morpholin-2-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide has a molecular weight of 294.40 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-morpholin-2-yl]-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 125163242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).