2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide

C28H31N3O3 — CID 54834877

IUPAC2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide
SMILESO=C(CNc1ccc(C(=O)N2CCCCCC2)cc1)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C28H31N3O3/c32-27(30-25-12-6-7-13-26(25)34-21-22-10-4-3-5-11-22)20-29-24-16-14-23(15-17-24)28(33)31-18-8-1-2-9-19-31/h3-7,10-17,29H,1-2,8-9,18-21H2,(H,30,32)
InChIKeyLIZHNOHHVNNYJV-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.33
Rot. Bonds8

About 2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide

2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide (PubChem CID 54834877) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide
PubChem CID54834877
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide
SMILESO=C(CNc1ccc(C(=O)N2CCCCCC2)cc1)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C28H31N3O3/c32-27(30-25-12-6-7-13-26(25)34-21-22-10-4-3-5-11-22)20-29-24-16-14-23(15-17-24)28(33)31-18-8-1-2-9-19-31/h3-7,10-17,29H,1-2,8-9,18-21H2,(H,30,32)
InChIKeyLIZHNOHHVNNYJV-UHFFFAOYSA-N
XLogP5.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(azepane-1-carbonyl)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54835286
N-(2-phenylmethoxyphenyl)-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843435
2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 54835054
N-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841714
N-(4-phenylmethoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833960
N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834093
N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834057
2-(2-methoxyanilino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54817219
N-[4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839493
2-anilino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119702402
N-(2-ethoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54831932
N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54835242

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide (CID 54834877) is 2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide is O=C(CNc1ccc(C(=O)N2CCCCCC2)cc1)Nc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide?
The InChIKey is LIZHNOHHVNNYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c32-27(30-25-12-6-7-13-26(25)34-21-22-10-4-3-5-11-22)20-29-24-16-14-23(15-17-24)28(33)31-18-8-1-2-9-19-31/h3-7,10-17,29H,1-2,8-9,18-21H2,(H,30,32).
What are the key properties of 2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide?
2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide has a molecular weight of 457.57 g/mol, XLogP of 5.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 54834877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).