ethyl 3-benzamido-3-phenylbutanoate

C19H21NO3 — CID 174448523

IUPACethyl 3-benzamido-3-phenylbutanoate
SMILESCCOC(=O)CC(C)(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-3-23-17(21)14-19(2,16-12-8-5-9-13-16)20-18(22)15-10-6-4-7-11-15/h4-13H,3,14H2,1-2H3,(H,20,22)
InChIKeySSSUIEMKTSHJBJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.29
Rot. Bonds6

About ethyl 3-benzamido-3-phenylbutanoate

ethyl 3-benzamido-3-phenylbutanoate (PubChem CID 174448523) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl 3-benzamido-3-phenylbutanoate.

Molecular Properties

Compound Nameethyl 3-benzamido-3-phenylbutanoate
PubChem CID174448523
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Nameethyl 3-benzamido-3-phenylbutanoate
SMILESCCOC(=O)CC(C)(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-3-23-17(21)14-19(2,16-12-8-5-9-13-16)20-18(22)15-10-6-4-7-11-15/h4-13H,3,14H2,1-2H3,(H,20,22)
InChIKeySSSUIEMKTSHJBJ-UHFFFAOYSA-N
XLogP3.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzamido-3-phenylbutanoate?
The IUPAC name of ethyl 3-benzamido-3-phenylbutanoate (CID 174448523) is ethyl 3-benzamido-3-phenylbutanoate.
What is the SMILES notation for ethyl 3-benzamido-3-phenylbutanoate?
The canonical SMILES for ethyl 3-benzamido-3-phenylbutanoate is CCOC(=O)CC(C)(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 3-benzamido-3-phenylbutanoate?
The InChIKey is SSSUIEMKTSHJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-23-17(21)14-19(2,16-12-8-5-9-13-16)20-18(22)15-10-6-4-7-11-15/h4-13H,3,14H2,1-2H3,(H,20,22).
What are the key properties of ethyl 3-benzamido-3-phenylbutanoate?
ethyl 3-benzamido-3-phenylbutanoate has a molecular weight of 311.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzamido-3-phenylbutanoate is sourced from PubChem (CID 174448523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).