2-(2-methylphenoxy)-N-(2-oxoazepan-3-yl)acetamide

C15H20N2O3 — CID 47031033

IUPAC2-(2-methylphenoxy)-N-(2-oxoazepan-3-yl)acetamide
SMILESCc1ccccc1OCC(=O)NC1CCCCNC1=O
InChIInChI=1S/C15H20N2O3/c1-11-6-2-3-8-13(11)20-10-14(18)17-12-7-4-5-9-16-15(12)19/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyWVHNYSQMIMSKTI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.16
Rot. Bonds4

About 2-(2-methylphenoxy)-N-(2-oxoazepan-3-yl)acetamide

2-(2-methylphenoxy)-N-(2-oxoazepan-3-yl)acetamide (PubChem CID 47031033) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(2-oxoazepan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(2-oxoazepan-3-yl)acetamide
PubChem CID47031033
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(2-methylphenoxy)-N-(2-oxoazepan-3-yl)acetamide
SMILESCc1ccccc1OCC(=O)NC1CCCCNC1=O
InChIInChI=1S/C15H20N2O3/c1-11-6-2-3-8-13(11)20-10-14(18)17-12-7-4-5-9-16-15(12)19/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyWVHNYSQMIMSKTI-UHFFFAOYSA-N
XLogP1.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(2-oxoazepan-3-yl)acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(2-oxoazepan-3-yl)acetamide (CID 47031033) is 2-(2-methylphenoxy)-N-(2-oxoazepan-3-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(2-oxoazepan-3-yl)acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(2-oxoazepan-3-yl)acetamide is Cc1ccccc1OCC(=O)NC1CCCCNC1=O.
What is the InChIKey of 2-(2-methylphenoxy)-N-(2-oxoazepan-3-yl)acetamide?
The InChIKey is WVHNYSQMIMSKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-6-2-3-8-13(11)20-10-14(18)17-12-7-4-5-9-16-15(12)19/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-(2-methylphenoxy)-N-(2-oxoazepan-3-yl)acetamide?
2-(2-methylphenoxy)-N-(2-oxoazepan-3-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(2-oxoazepan-3-yl)acetamide is sourced from PubChem (CID 47031033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).