benzamide;methyl 3-phenylpropanoate

C17H19NO3 — CID 154677392

IUPACbenzamide;methyl 3-phenylpropanoate
SMILESCOC(=O)CCc1ccccc1.NC(=O)c1ccccc1
InChIInChI=1S/C10H12O2.C7H7NO/c1-12-10(11)8-7-9-5-3-2-4-6-9;8-7(9)6-4-2-1-3-5-6/h2-6H,7-8H2,1H3;1-5H,(H2,8,9)
InChIKeyVFMNDYFEPIOYJW-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.58
Rot. Bonds4

About benzamide;methyl 3-phenylpropanoate

benzamide;methyl 3-phenylpropanoate (PubChem CID 154677392) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is benzamide;methyl 3-phenylpropanoate.

Molecular Properties

Compound Namebenzamide;methyl 3-phenylpropanoate
PubChem CID154677392
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namebenzamide;methyl 3-phenylpropanoate
SMILESCOC(=O)CCc1ccccc1.NC(=O)c1ccccc1
InChIInChI=1S/C10H12O2.C7H7NO/c1-12-10(11)8-7-9-5-3-2-4-6-9;8-7(9)6-4-2-1-3-5-6/h2-6H,7-8H2,1H3;1-5H,(H2,8,9)
InChIKeyVFMNDYFEPIOYJW-UHFFFAOYSA-N
XLogP2.58
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
methyl 4-methylpentanoate;methyl 3-phenylpropanoate
CID 174923229
benzyl 3-(3-methoxy-3-oxopropyl)benzoate
CID 155731050
methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate
CID 10635677
4-(2-phenylethyl)benzamide
CID 23130460
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
CID 16609295
carbamoyl 3-phenylpropanoate
CID 56614916
methyl 3-(3-phenylpropanoyloxymethyl)benzoate
CID 78759984
4-(3-phenylpropanoylamino)benzamide
CID 675903
3-phenylpropanoyl 3-phenylpropanoate
CID 13024780
(benzhydrylideneamino) 3-phenylpropanoate
CID 91344070

Frequently Asked Questions

What is the IUPAC name of benzamide;methyl 3-phenylpropanoate?
The IUPAC name of benzamide;methyl 3-phenylpropanoate (CID 154677392) is benzamide;methyl 3-phenylpropanoate.
What is the SMILES notation for benzamide;methyl 3-phenylpropanoate?
The canonical SMILES for benzamide;methyl 3-phenylpropanoate is COC(=O)CCc1ccccc1.NC(=O)c1ccccc1.
What is the InChIKey of benzamide;methyl 3-phenylpropanoate?
The InChIKey is VFMNDYFEPIOYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C7H7NO/c1-12-10(11)8-7-9-5-3-2-4-6-9;8-7(9)6-4-2-1-3-5-6/h2-6H,7-8H2,1H3;1-5H,(H2,8,9).
What are the key properties of benzamide;methyl 3-phenylpropanoate?
benzamide;methyl 3-phenylpropanoate has a molecular weight of 285.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;methyl 3-phenylpropanoate is sourced from PubChem (CID 154677392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).