N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide

C23H26N2O4 — CID 26084463

IUPACN-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C23H26N2O4/c1-2-21(26)16-11-13-18(14-12-16)29-15-22(27)25-20-10-6-5-9-19(20)23(28)24-17-7-3-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,24,28)(H,25,27)
InChIKeyXDMJUIMBDZBNMH-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.97
Rot. Bonds8

About N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide

N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide (PubChem CID 26084463) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
PubChem CID26084463
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1
InChIInChI=1S/C23H26N2O4/c1-2-21(26)16-11-13-18(14-12-16)29-15-22(27)25-20-10-6-5-9-19(20)23(28)24-17-7-3-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,24,28)(H,25,27)
InChIKeyXDMJUIMBDZBNMH-UHFFFAOYSA-N
XLogP3.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 1226844
N-cyclopropyl-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 26906049
N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279951
N-cycloheptyl-2-(4-propanoylphenoxy)acetamide
CID 2549658
N-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
CID 26706316
N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933656
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 40616539
N-cyclohexyl-2-[(4-ethoxybenzoyl)carbamothioylamino]benzamide
CID 4948989
N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide
CID 7044052
N-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide
CID 26906057
2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 2714751
N-cyclohexyl-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1182084

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide (CID 26084463) is N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide is CCC(=O)c1ccc(OCC(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide?
The InChIKey is XDMJUIMBDZBNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-2-21(26)16-11-13-18(14-12-16)29-15-22(27)25-20-10-6-5-9-19(20)23(28)24-17-7-3-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide?
N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide has a molecular weight of 394.47 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 26084463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).