2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide

C22H28N2O3 — CID 54814765

IUPAC2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
SMILESO=C(CN1CCCCCC1)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C22H28N2O3/c25-22(18-24-14-8-1-2-9-15-24)23-20-12-6-7-13-21(20)27-17-16-26-19-10-4-3-5-11-19/h3-7,10-13H,1-2,8-9,14-18H2,(H,23,25)
InChIKeyCNHSPNFKBARJPH-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.96
Rot. Bonds8

About 2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide

2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 54814765) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID54814765
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
SMILESO=C(CN1CCCCCC1)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C22H28N2O3/c25-22(18-24-14-8-1-2-9-15-24)23-20-12-6-7-13-21(20)27-17-16-26-19-10-4-3-5-11-19/h3-7,10-13H,1-2,8-9,14-18H2,(H,23,25)
InChIKeyCNHSPNFKBARJPH-UHFFFAOYSA-N
XLogP3.96
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
CID 17131186
N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
CID 17130993
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 46995681
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55864159
N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide
CID 54817766
2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 54814501
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide
CID 54813456
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride
CID 154890001
5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid
CID 17130914
2-(2-chloroanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54810463
2-(4-hydroxypiperidin-1-yl)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 50964338

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide (CID 54814765) is 2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide is O=C(CN1CCCCCC1)Nc1ccccc1OCCOc1ccccc1.
What is the InChIKey of 2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is CNHSPNFKBARJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c25-22(18-24-14-8-1-2-9-15-24)23-20-12-6-7-13-21(20)27-17-16-26-19-10-4-3-5-11-19/h3-7,10-13H,1-2,8-9,14-18H2,(H,23,25).
What are the key properties of 2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54814765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).