ethyl 4-(1-benzamidoethyl)benzoate

C18H19NO3 — CID 164679165

IUPACethyl 4-(1-benzamidoethyl)benzoate
SMILESCCOC(=O)c1ccc(C(C)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-3-22-18(21)16-11-9-14(10-12-16)13(2)19-17(20)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,19,20)
InChIKeyLJQBOOCCTXDHOS-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.35
Rot. Bonds5

About ethyl 4-(1-benzamidoethyl)benzoate

ethyl 4-(1-benzamidoethyl)benzoate (PubChem CID 164679165) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethyl 4-(1-benzamidoethyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(1-benzamidoethyl)benzoate
PubChem CID164679165
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Nameethyl 4-(1-benzamidoethyl)benzoate
SMILESCCOC(=O)c1ccc(C(C)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-3-22-18(21)16-11-9-14(10-12-16)13(2)19-17(20)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,19,20)
InChIKeyLJQBOOCCTXDHOS-UHFFFAOYSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate
CID 19432093
ethyl 4-[[5-(1-phenylethylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109256458
ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate
CID 9033040
N-[(1S)-1-(4-aminophenyl)ethyl]benzamide
CID 35525579
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate
CID 51292630
CID 158970570
CID 158970570
[4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate
CID 23597756
ethyl 5-amino-1-[4-(1-phenylethylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363371
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7868318
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452902
N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 4837318

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-benzamidoethyl)benzoate?
The IUPAC name of ethyl 4-(1-benzamidoethyl)benzoate (CID 164679165) is ethyl 4-(1-benzamidoethyl)benzoate.
What is the SMILES notation for ethyl 4-(1-benzamidoethyl)benzoate?
The canonical SMILES for ethyl 4-(1-benzamidoethyl)benzoate is CCOC(=O)c1ccc(C(C)NC(=O)c2ccccc2)cc1.
What is the InChIKey of ethyl 4-(1-benzamidoethyl)benzoate?
The InChIKey is LJQBOOCCTXDHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-22-18(21)16-11-9-14(10-12-16)13(2)19-17(20)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,19,20).
What are the key properties of ethyl 4-(1-benzamidoethyl)benzoate?
ethyl 4-(1-benzamidoethyl)benzoate has a molecular weight of 297.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-benzamidoethyl)benzoate is sourced from PubChem (CID 164679165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).