N-[3-(2-oxoazepan-1-yl)propyl]-2-(4-propanoylphenoxy)acetamide

C20H28N2O4 — CID 8916560

IUPACN-[3-(2-oxoazepan-1-yl)propyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCCCN2CCCCCC2=O)cc1
InChIInChI=1S/C20H28N2O4/c1-2-18(23)16-8-10-17(11-9-16)26-15-19(24)21-12-6-14-22-13-5-3-4-7-20(22)25/h8-11H,2-7,12-15H2,1H3,(H,21,24)
InChIKeyPWTVHOOTTBSZRD-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.57
Rot. Bonds9

About N-[3-(2-oxoazepan-1-yl)propyl]-2-(4-propanoylphenoxy)acetamide

N-[3-(2-oxoazepan-1-yl)propyl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 8916560) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[3-(2-oxoazepan-1-yl)propyl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(2-oxoazepan-1-yl)propyl]-2-(4-propanoylphenoxy)acetamide
PubChem CID8916560
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN-[3-(2-oxoazepan-1-yl)propyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCCCN2CCCCCC2=O)cc1
InChIInChI=1S/C20H28N2O4/c1-2-18(23)16-8-10-17(11-9-16)26-15-19(24)21-12-6-14-22-13-5-3-4-7-20(22)25/h8-11H,2-7,12-15H2,1H3,(H,21,24)
InChIKeyPWTVHOOTTBSZRD-UHFFFAOYSA-N
XLogP2.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.57
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-(4-formylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 78788687
2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 55765796
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78822014
N-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide
CID 78760477
2-[2-ethoxy-4-[3-(2-oxoazepan-1-yl)propylcarbamoyl]phenoxy]acetic acid
CID 119179623
2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 46522155
2-[2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethoxy]ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 574581
2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 55932425
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 87012759
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-(4-propanoylphenoxy)acetamide
CID 46439997
4-cyano-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 39959545

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxoazepan-1-yl)propyl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[3-(2-oxoazepan-1-yl)propyl]-2-(4-propanoylphenoxy)acetamide (CID 8916560) is N-[3-(2-oxoazepan-1-yl)propyl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[3-(2-oxoazepan-1-yl)propyl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[3-(2-oxoazepan-1-yl)propyl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)NCCCN2CCCCCC2=O)cc1.
What is the InChIKey of N-[3-(2-oxoazepan-1-yl)propyl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is PWTVHOOTTBSZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-2-18(23)16-8-10-17(11-9-16)26-15-19(24)21-12-6-14-22-13-5-3-4-7-20(22)25/h8-11H,2-7,12-15H2,1H3,(H,21,24).
What are the key properties of N-[3-(2-oxoazepan-1-yl)propyl]-2-(4-propanoylphenoxy)acetamide?
N-[3-(2-oxoazepan-1-yl)propyl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 360.45 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxoazepan-1-yl)propyl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 8916560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).