2-(azepan-1-yl)-N-(2-phenoxyphenyl)acetamide

C20H24N2O2 — CID 4879691

IUPAC2-(azepan-1-yl)-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CN1CCCCCC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H24N2O2/c23-20(16-22-14-8-1-2-9-15-22)21-18-12-6-7-13-19(18)24-17-10-4-3-5-11-17/h3-7,10-13H,1-2,8-9,14-16H2,(H,21,23)
InChIKeyOOTPNJLQHSSVBC-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.29
Rot. Bonds5

About 2-(azepan-1-yl)-N-(2-phenoxyphenyl)acetamide

2-(azepan-1-yl)-N-(2-phenoxyphenyl)acetamide (PubChem CID 4879691) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(2-phenoxyphenyl)acetamide
PubChem CID4879691
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(azepan-1-yl)-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CN1CCCCCC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H24N2O2/c23-20(16-22-14-8-1-2-9-15-22)21-18-12-6-7-13-19(18)24-17-10-4-3-5-11-17/h3-7,10-13H,1-2,8-9,14-16H2,(H,21,23)
InChIKeyOOTPNJLQHSSVBC-UHFFFAOYSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Propacetamol
CID 68865
2-Ethoxy-2'-ethyloxanilide
CID 90303
o-Ethoxyacetanilide
CID 11383
1-(2-Ethoxyphenyl)piperazine
CID 83357
1-[2-(Propan-2-yloxy)phenyl]piperazine
CID 10944016
Acetamide, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55421
Rwj-38063
CID 9887378
Rwj-68157
CID 9888164
1-(2-Phenoxyphenyl)piperazine
CID 12996705
1-(2-Butoxyphenyl)piperazine
CID 14479837
2-(4-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(2-phenoxyphenyl)acetamide (CID 4879691) is 2-(azepan-1-yl)-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(2-phenoxyphenyl)acetamide is O=C(CN1CCCCCC1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(azepan-1-yl)-N-(2-phenoxyphenyl)acetamide?
The InChIKey is OOTPNJLQHSSVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20(16-22-14-8-1-2-9-15-22)21-18-12-6-7-13-19(18)24-17-10-4-3-5-11-17/h3-7,10-13H,1-2,8-9,14-16H2,(H,21,23).
What are the key properties of 2-(azepan-1-yl)-N-(2-phenoxyphenyl)acetamide?
2-(azepan-1-yl)-N-(2-phenoxyphenyl)acetamide has a molecular weight of 324.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 4879691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).