N-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide

C23H28N2O3 — CID 26159338

IUPACN-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(C(=O)N3CCCCCC3)c2)cc1
InChIInChI=1S/C23H28N2O3/c1-2-18-10-12-21(13-11-18)28-17-22(26)24-20-9-7-8-19(16-20)23(27)25-14-5-3-4-6-15-25/h7-13,16H,2-6,14-15,17H2,1H3,(H,24,26)
InChIKeyOSXWPLMQLFJVDH-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.28
Rot. Bonds6

About N-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide

N-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide (PubChem CID 26159338) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide
PubChem CID26159338
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2cccc(C(=O)N3CCCCCC3)c2)cc1
InChIInChI=1S/C23H28N2O3/c1-2-18-10-12-21(13-11-18)28-17-22(26)24-20-9-7-8-19(16-20)23(27)25-14-5-3-4-6-15-25/h7-13,16H,2-6,14-15,17H2,1H3,(H,24,26)
InChIKeyOSXWPLMQLFJVDH-UHFFFAOYSA-N
XLogP4.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(azepane-1-carbonyl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 26159412
2-(4-phenylphenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 26161597
2-(4-chloro-3,5-dimethylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 26168331
2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 51145616
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54824283
N-(3-carbamothioylphenyl)-2-(4-ethylphenoxy)acetamide
CID 39158590
2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54837978
N-[3-(azepane-1-carbonyl)phenyl]-4-butoxybenzamide
CID 26159451
2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54837855
2-(2-bromo-4-ethylphenoxy)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 26157958
2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821096
N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-ethylphenoxy)acetamide
CID 16943689

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide (CID 26159338) is N-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)Nc2cccc(C(=O)N3CCCCCC3)c2)cc1.
What is the InChIKey of N-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide?
The InChIKey is OSXWPLMQLFJVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-18-10-12-21(13-11-18)28-17-22(26)24-20-9-7-8-19(16-20)23(27)25-14-5-3-4-6-15-25/h7-13,16H,2-6,14-15,17H2,1H3,(H,24,26).
What are the key properties of N-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide?
N-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide has a molecular weight of 380.49 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 26159338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).