N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide

C22H26N2O4 — CID 4937891

IUPACN-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccccc1C(=O)N1CCCCCC1
InChIInChI=1S/C22H26N2O4/c1-27-19-12-6-7-13-20(19)28-16-21(25)23-18-11-5-4-10-17(18)22(26)24-14-8-2-3-9-15-24/h4-7,10-13H,2-3,8-9,14-16H2,1H3,(H,23,25)
InChIKeyKBUTVCPWRNSNEG-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.73
Rot. Bonds6

About N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide

N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 4937891) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID4937891
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccccc1C(=O)N1CCCCCC1
InChIInChI=1S/C22H26N2O4/c1-27-19-12-6-7-13-20(19)28-16-21(25)23-18-11-5-4-10-17(18)22(26)24-14-8-2-3-9-15-24/h4-7,10-13H,2-3,8-9,14-16H2,1H3,(H,23,25)
InChIKeyKBUTVCPWRNSNEG-UHFFFAOYSA-N
XLogP3.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17050670
2-(4-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4935995
2-[4-(azetidine-1-carbonyl)-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 17439322
2-(4-acetylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 26905349
2-(2-chloro-4-fluorophenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46419749
2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932401
N-[2-(azepane-1-carbonyl)phenyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4937939
2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 17051639
2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 17188929
2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932497
2-[2-(azepane-1-carbonyl)phenoxy]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 17466964
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932419

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide (CID 4937891) is N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1ccccc1C(=O)N1CCCCCC1.
What is the InChIKey of N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is KBUTVCPWRNSNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-19-12-6-7-13-20(19)28-16-21(25)23-18-11-5-4-10-17(18)22(26)24-14-8-2-3-9-15-24/h4-7,10-13H,2-3,8-9,14-16H2,1H3,(H,23,25).
What are the key properties of N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide?
N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 382.46 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 4937891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).