N-(1-phenylethyl)-3-(propanoylamino)benzamide

C18H20N2O2 — CID 17309569

IUPACN-(1-phenylethyl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C18H20N2O2/c1-3-17(21)20-16-11-7-10-15(12-16)18(22)19-13(2)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQAGPABLCKLWLND-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.53
Rot. Bonds5

About N-(1-phenylethyl)-3-(propanoylamino)benzamide

N-(1-phenylethyl)-3-(propanoylamino)benzamide (PubChem CID 17309569) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(1-phenylethyl)-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-3-(propanoylamino)benzamide
PubChem CID17309569
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(1-phenylethyl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C18H20N2O2/c1-3-17(21)20-16-11-7-10-15(12-16)18(22)19-13(2)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQAGPABLCKLWLND-UHFFFAOYSA-N
XLogP3.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 93083294
N,N'-bis[3-(1-phenylethylcarbamoyl)phenyl]nonanediamide
CID 43878143
N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide
CID 55833406
4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid
CID 43877722
N-(1-phenylethyl)-3-(tetradecanoylamino)benzamide
CID 54791898
3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54829287
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide
CID 55837471
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877795
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877741

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-3-(propanoylamino)benzamide?
The IUPAC name of N-(1-phenylethyl)-3-(propanoylamino)benzamide (CID 17309569) is N-(1-phenylethyl)-3-(propanoylamino)benzamide.
What is the SMILES notation for N-(1-phenylethyl)-3-(propanoylamino)benzamide?
The canonical SMILES for N-(1-phenylethyl)-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of N-(1-phenylethyl)-3-(propanoylamino)benzamide?
The InChIKey is QAGPABLCKLWLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-17(21)20-16-11-7-10-15(12-16)18(22)19-13(2)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-(1-phenylethyl)-3-(propanoylamino)benzamide?
N-(1-phenylethyl)-3-(propanoylamino)benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-3-(propanoylamino)benzamide is sourced from PubChem (CID 17309569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).