N-[3-(3-acetamidophenoxy)propyl]cyclobutanecarboxamide

C16H22N2O3 — CID 2810838

IUPACN-[3-(3-acetamidophenoxy)propyl]cyclobutanecarboxamide
SMILESCC(=O)Nc1cccc(OCCCNC(=O)C2CCC2)c1
InChIInChI=1S/C16H22N2O3/c1-12(19)18-14-7-3-8-15(11-14)21-10-4-9-17-16(20)13-5-2-6-13/h3,7-8,11,13H,2,4-6,9-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyIQTXJZDEYCJKEM-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.33
Rot. Bonds7

About N-[3-(3-acetamidophenoxy)propyl]cyclobutanecarboxamide

N-[3-(3-acetamidophenoxy)propyl]cyclobutanecarboxamide (PubChem CID 2810838) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[3-(3-acetamidophenoxy)propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-(3-acetamidophenoxy)propyl]cyclobutanecarboxamide
PubChem CID2810838
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[3-(3-acetamidophenoxy)propyl]cyclobutanecarboxamide
SMILESCC(=O)Nc1cccc(OCCCNC(=O)C2CCC2)c1
InChIInChI=1S/C16H22N2O3/c1-12(19)18-14-7-3-8-15(11-14)21-10-4-9-17-16(20)13-5-2-6-13/h3,7-8,11,13H,2,4-6,9-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyIQTXJZDEYCJKEM-UHFFFAOYSA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[3-(3-acetamidophenoxy)propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-(3-acetamidophenoxy)propyl]cyclobutanecarboxamide (CID 2810838) is N-[3-(3-acetamidophenoxy)propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-(3-acetamidophenoxy)propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-(3-acetamidophenoxy)propyl]cyclobutanecarboxamide is CC(=O)Nc1cccc(OCCCNC(=O)C2CCC2)c1.
What is the InChIKey of N-[3-(3-acetamidophenoxy)propyl]cyclobutanecarboxamide?
The InChIKey is IQTXJZDEYCJKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(19)18-14-7-3-8-15(11-14)21-10-4-9-17-16(20)13-5-2-6-13/h3,7-8,11,13H,2,4-6,9-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(3-acetamidophenoxy)propyl]cyclobutanecarboxamide?
N-[3-(3-acetamidophenoxy)propyl]cyclobutanecarboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-acetamidophenoxy)propyl]cyclobutanecarboxamide is sourced from PubChem (CID 2810838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).