2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide

C17H26N2O3 — CID 54814501

IUPAC2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1cccc(NC(=O)CN2CCCCCC2)c1
InChIInChI=1S/C17H26N2O3/c1-21-11-12-22-16-8-6-7-15(13-16)18-17(20)14-19-9-4-2-3-5-10-19/h6-8,13H,2-5,9-12,14H2,1H3,(H,18,20)
InChIKeyZXOJYFIVRSDTJZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.53
Rot. Bonds7

About 2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide

2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide (PubChem CID 54814501) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
PubChem CID54814501
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1cccc(NC(=O)CN2CCCCCC2)c1
InChIInChI=1S/C17H26N2O3/c1-21-11-12-22-16-8-6-7-15(13-16)18-17(20)14-19-9-4-2-3-5-10-19/h6-8,13H,2-5,9-12,14H2,1H3,(H,18,20)
InChIKeyZXOJYFIVRSDTJZ-UHFFFAOYSA-N
XLogP2.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.53
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

2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide
CID 54813456
2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54814562
2-(azepan-1-yl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54814466
2-piperazin-1-yl-N-(3-propoxyphenyl)acetamide
CID 60851959
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814595
2-(4-aminopiperidin-1-yl)-N-(3-propoxyphenyl)acetamide
CID 79322694
2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 54810775
N-[3-(2-methoxyethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 54819707
2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide
CID 62838844
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide (CID 54814501) is 2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide is COCCOc1cccc(NC(=O)CN2CCCCCC2)c1.
What is the InChIKey of 2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide?
The InChIKey is ZXOJYFIVRSDTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-21-11-12-22-16-8-6-7-15(13-16)18-17(20)14-19-9-4-2-3-5-10-19/h6-8,13H,2-5,9-12,14H2,1H3,(H,18,20).
What are the key properties of 2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide?
2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.53, 7 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-[3-(2-methoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54814501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).