4-phenoxy-N-pyrimidin-2-ylbutanamide

C14H15N3O2 — CID 2163064

IUPAC4-phenoxy-N-pyrimidin-2-ylbutanamide
SMILESO=C(CCCOc1ccccc1)Nc1ncccn1
InChIInChI=1S/C14H15N3O2/c18-13(17-14-15-9-5-10-16-14)8-4-11-19-12-6-2-1-3-7-12/h1-3,5-7,9-10H,4,8,11H2,(H,15,16,17,18)
InChIKeyWRXOEXHXNIVKKS-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.27
Rot. Bonds6

About 4-phenoxy-N-pyrimidin-2-ylbutanamide

4-phenoxy-N-pyrimidin-2-ylbutanamide (PubChem CID 2163064) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-phenoxy-N-pyrimidin-2-ylbutanamide.

Molecular Properties

Compound Name4-phenoxy-N-pyrimidin-2-ylbutanamide
PubChem CID2163064
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-phenoxy-N-pyrimidin-2-ylbutanamide
SMILESO=C(CCCOc1ccccc1)Nc1ncccn1
InChIInChI=1S/C14H15N3O2/c18-13(17-14-15-9-5-10-16-14)8-4-11-19-12-6-2-1-3-7-12/h1-3,5-7,9-10H,4,8,11H2,(H,15,16,17,18)
InChIKeyWRXOEXHXNIVKKS-UHFFFAOYSA-N
XLogP2.27
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.27
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 4-phenoxy-N-pyrimidin-2-ylbutanamide?
The IUPAC name of 4-phenoxy-N-pyrimidin-2-ylbutanamide (CID 2163064) is 4-phenoxy-N-pyrimidin-2-ylbutanamide.
What is the SMILES notation for 4-phenoxy-N-pyrimidin-2-ylbutanamide?
The canonical SMILES for 4-phenoxy-N-pyrimidin-2-ylbutanamide is O=C(CCCOc1ccccc1)Nc1ncccn1.
What is the InChIKey of 4-phenoxy-N-pyrimidin-2-ylbutanamide?
The InChIKey is WRXOEXHXNIVKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-13(17-14-15-9-5-10-16-14)8-4-11-19-12-6-2-1-3-7-12/h1-3,5-7,9-10H,4,8,11H2,(H,15,16,17,18).
What are the key properties of 4-phenoxy-N-pyrimidin-2-ylbutanamide?
4-phenoxy-N-pyrimidin-2-ylbutanamide has a molecular weight of 257.29 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-pyrimidin-2-ylbutanamide is sourced from PubChem (CID 2163064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).