N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide

C19H27N3O3 — CID 78802507

IUPACN-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide
SMILESO=C(CNC(=O)Cc1ccccc1)NCCCN1CCCCCC1=O
InChIInChI=1S/C19H27N3O3/c23-17(14-16-8-3-1-4-9-16)21-15-18(24)20-11-7-13-22-12-6-2-5-10-19(22)25/h1,3-4,8-9H,2,5-7,10-15H2,(H,20,24)(H,21,23)
InChIKeyGIYGXVPADIKFOJ-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.25
Rot. Bonds8

About N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide

N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide (PubChem CID 78802507) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide
PubChem CID78802507
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide
SMILESO=C(CNC(=O)Cc1ccccc1)NCCCN1CCCCCC1=O
InChIInChI=1S/C19H27N3O3/c23-17(14-16-8-3-1-4-9-16)21-15-18(24)20-11-7-13-22-12-6-2-5-10-19(22)25/h1,3-4,8-9H,2,5-7,10-15H2,(H,20,24)(H,21,23)
InChIKeyGIYGXVPADIKFOJ-UHFFFAOYSA-N
XLogP1.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
2-(4-nitrophenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78802488
2-(2-nitrophenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78802483
2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977003
2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide
CID 46522177
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 39515430
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
1-benzyl-N-[4-(2-oxopiperidin-1-yl)butyl]cyclobutane-1-carboxamide
CID 75379144
2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 30483231
2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802433

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide (CID 78802507) is N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide is O=C(CNC(=O)Cc1ccccc1)NCCCN1CCCCCC1=O.
What is the InChIKey of N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide?
The InChIKey is GIYGXVPADIKFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-17(14-16-8-3-1-4-9-16)21-15-18(24)20-11-7-13-22-12-6-2-5-10-19(22)25/h1,3-4,8-9H,2,5-7,10-15H2,(H,20,24)(H,21,23).
What are the key properties of N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide?
N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide has a molecular weight of 345.44 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 78802507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).