2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide

C23H28N2O4 — CID 51145616

IUPAC2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)N3CCCCCCC3)cc2)c1
InChIInChI=1S/C23H28N2O4/c1-28-21-9-7-8-19(16-21)24-22(26)17-29-20-12-10-18(11-13-20)23(27)25-14-5-3-2-4-6-15-25/h7-13,16H,2-6,14-15,17H2,1H3,(H,24,26)
InChIKeyWJXUGEZWBXOSNW-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.12
Rot. Bonds6

About 2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide

2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide (PubChem CID 51145616) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide
PubChem CID51145616
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)N3CCCCCCC3)cc2)c1
InChIInChI=1S/C23H28N2O4/c1-28-21-9-7-8-19(16-21)24-22(26)17-29-20-12-10-18(11-13-20)23(27)25-14-5-3-2-4-6-15-25/h7-13,16H,2-6,14-15,17H2,1H3,(H,24,26)
InChIKeyWJXUGEZWBXOSNW-UHFFFAOYSA-N
XLogP4.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate
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N-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide
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2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
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N-(3-methylphenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
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N-[4-(piperidine-1-carbonyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide (CID 51145616) is 2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)COc2ccc(C(=O)N3CCCCCCC3)cc2)c1.
What is the InChIKey of 2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide?
The InChIKey is WJXUGEZWBXOSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-28-21-9-7-8-19(16-21)24-22(26)17-29-20-12-10-18(11-13-20)23(27)25-14-5-3-2-4-6-15-25/h7-13,16H,2-6,14-15,17H2,1H3,(H,24,26).
What are the key properties of 2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide?
2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide has a molecular weight of 396.49 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 51145616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).