2-pentoxy-N-[(1S)-1-pyrazin-2-ylethyl]acetamide

C13H21N3O2 — CID 126841819

IUPAC2-pentoxy-N-[(1S)-1-pyrazin-2-ylethyl]acetamide
SMILESCCCCCOCC(=O)N[C@@H](C)c1cnccn1
InChIInChI=1S/C13H21N3O2/c1-3-4-5-8-18-10-13(17)16-11(2)12-9-14-6-7-15-12/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyHCFUDLSMFZVRCT-NSHDSACASA-N
MW251.33 g/mol
LogP1.86
Rot. Bonds8

About 2-pentoxy-N-[(1S)-1-pyrazin-2-ylethyl]acetamide

2-pentoxy-N-[(1S)-1-pyrazin-2-ylethyl]acetamide (PubChem CID 126841819) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-pentoxy-N-[(1S)-1-pyrazin-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-pentoxy-N-[(1S)-1-pyrazin-2-ylethyl]acetamide
PubChem CID126841819
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-pentoxy-N-[(1S)-1-pyrazin-2-ylethyl]acetamide
SMILESCCCCCOCC(=O)N[C@@H](C)c1cnccn1
InChIInChI=1S/C13H21N3O2/c1-3-4-5-8-18-10-13(17)16-11(2)12-9-14-6-7-15-12/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyHCFUDLSMFZVRCT-NSHDSACASA-N
XLogP1.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-pentoxy-N-[(1S)-1-pyrazin-2-ylethyl]acetamide?
The IUPAC name of 2-pentoxy-N-[(1S)-1-pyrazin-2-ylethyl]acetamide (CID 126841819) is 2-pentoxy-N-[(1S)-1-pyrazin-2-ylethyl]acetamide.
What is the SMILES notation for 2-pentoxy-N-[(1S)-1-pyrazin-2-ylethyl]acetamide?
The canonical SMILES for 2-pentoxy-N-[(1S)-1-pyrazin-2-ylethyl]acetamide is CCCCCOCC(=O)N[C@@H](C)c1cnccn1.
What is the InChIKey of 2-pentoxy-N-[(1S)-1-pyrazin-2-ylethyl]acetamide?
The InChIKey is HCFUDLSMFZVRCT-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-4-5-8-18-10-13(17)16-11(2)12-9-14-6-7-15-12/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 2-pentoxy-N-[(1S)-1-pyrazin-2-ylethyl]acetamide?
2-pentoxy-N-[(1S)-1-pyrazin-2-ylethyl]acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-N-[(1S)-1-pyrazin-2-ylethyl]acetamide is sourced from PubChem (CID 126841819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).