[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate

C24H28N2O4 — CID 46629792

IUPAC[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCCCCC1
InChIInChI=1S/C24H28N2O4/c1-18(24(29)26-15-7-2-3-8-16-26)30-22(27)17-25-23(28)21-13-11-20(12-14-21)19-9-5-4-6-10-19/h4-6,9-14,18H,2-3,7-8,15-17H2,1H3,(H,25,28)
InChIKeyFJMDYQCTHQLAFC-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.42
Rot. Bonds6

About [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate

[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 46629792) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID46629792
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCCCCC1
InChIInChI=1S/C24H28N2O4/c1-18(24(29)26-15-7-2-3-8-16-26)30-22(27)17-25-23(28)21-13-11-20(12-14-21)19-9-5-4-6-10-19/h4-6,9-14,18H,2-3,7-8,15-17H2,1H3,(H,25,28)
InChIKeyFJMDYQCTHQLAFC-UHFFFAOYSA-N
XLogP3.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate with MolForge

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Related Compounds

[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884737
[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854648
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882223
(2-oxo-2-piperidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 8921487
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921301
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 2417351
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921292
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7703317
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-[(4-phenylbenzoyl)amino]acetate
CID 32970914
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783234
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843840
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-benzoylphenoxy)acetate
CID 8925521

Frequently Asked Questions

What is the IUPAC name of [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate (CID 46629792) is [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate is CC(OC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCCCCC1.
What is the InChIKey of [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is FJMDYQCTHQLAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-18(24(29)26-15-7-2-3-8-16-26)30-22(27)17-25-23(28)21-13-11-20(12-14-21)19-9-5-4-6-10-19/h4-6,9-14,18H,2-3,7-8,15-17H2,1H3,(H,25,28).
What are the key properties of [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate?
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 408.50 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 46629792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).