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

C27H28N2O3 — CID 26159412

IUPACN-[3-(azepane-1-carbonyl)phenyl]-2-(4-phenylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)Nc1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C27H28N2O3/c30-26(20-32-25-15-13-22(14-16-25)21-9-4-3-5-10-21)28-24-12-8-11-23(19-24)27(31)29-17-6-1-2-7-18-29/h3-5,8-16,19H,1-2,6-7,17-18,20H2,(H,28,30)
InChIKeyJOURXRIJHUCQSY-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.39
Rot. Bonds6

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

N-[3-(azepane-1-carbonyl)phenyl]-2-(4-phenylphenoxy)acetamide (PubChem CID 26159412) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[3-(azepane-1-carbonyl)phenyl]-2-(4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(azepane-1-carbonyl)phenyl]-2-(4-phenylphenoxy)acetamide
PubChem CID26159412
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC NameN-[3-(azepane-1-carbonyl)phenyl]-2-(4-phenylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)Nc1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C27H28N2O3/c30-26(20-32-25-15-13-22(14-16-25)21-9-4-3-5-10-21)28-24-12-8-11-23(19-24)27(31)29-17-6-1-2-7-18-29/h3-5,8-16,19H,1-2,6-7,17-18,20H2,(H,28,30)
InChIKeyJOURXRIJHUCQSY-UHFFFAOYSA-N
XLogP5.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylphenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 26161597
N-[3-(azepane-1-carbonyl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 26159338
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
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822838
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54824283
N-[3-(azepane-1-carbonyl)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 26159512
3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168534
N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 26157869
2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54825491
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825406
1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243598

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepane-1-carbonyl)phenyl]-2-(4-phenylphenoxy)acetamide?
The IUPAC name of N-[3-(azepane-1-carbonyl)phenyl]-2-(4-phenylphenoxy)acetamide (CID 26159412) is N-[3-(azepane-1-carbonyl)phenyl]-2-(4-phenylphenoxy)acetamide.
What is the SMILES notation for N-[3-(azepane-1-carbonyl)phenyl]-2-(4-phenylphenoxy)acetamide?
The canonical SMILES for N-[3-(azepane-1-carbonyl)phenyl]-2-(4-phenylphenoxy)acetamide is O=C(COc1ccc(-c2ccccc2)cc1)Nc1cccc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of N-[3-(azepane-1-carbonyl)phenyl]-2-(4-phenylphenoxy)acetamide?
The InChIKey is JOURXRIJHUCQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c30-26(20-32-25-15-13-22(14-16-25)21-9-4-3-5-10-21)28-24-12-8-11-23(19-24)27(31)29-17-6-1-2-7-18-29/h3-5,8-16,19H,1-2,6-7,17-18,20H2,(H,28,30).
What are the key properties of N-[3-(azepane-1-carbonyl)phenyl]-2-(4-phenylphenoxy)acetamide?
N-[3-(azepane-1-carbonyl)phenyl]-2-(4-phenylphenoxy)acetamide has a molecular weight of 428.53 g/mol, XLogP of 5.39, 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-phenylphenoxy)acetamide is sourced from PubChem (CID 26159412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).