methyl 2-[methyl(phenyl)carbamoyl]-5-phenylpentanoate

C20H23NO3 — CID 122388738

IUPACmethyl 2-[methyl(phenyl)carbamoyl]-5-phenylpentanoate
SMILESCOC(=O)C(CCCc1ccccc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-21(17-13-7-4-8-14-17)19(22)18(20(23)24-2)15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18H,9,12,15H2,1-2H3
InChIKeyGSAZYCFHDJYAIJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.46
Rot. Bonds7

About methyl 2-[methyl(phenyl)carbamoyl]-5-phenylpentanoate

methyl 2-[methyl(phenyl)carbamoyl]-5-phenylpentanoate (PubChem CID 122388738) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl 2-[methyl(phenyl)carbamoyl]-5-phenylpentanoate.

Molecular Properties

Compound Namemethyl 2-[methyl(phenyl)carbamoyl]-5-phenylpentanoate
PubChem CID122388738
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namemethyl 2-[methyl(phenyl)carbamoyl]-5-phenylpentanoate
SMILESCOC(=O)C(CCCc1ccccc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-21(17-13-7-4-8-14-17)19(22)18(20(23)24-2)15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18H,9,12,15H2,1-2H3
InChIKeyGSAZYCFHDJYAIJ-UHFFFAOYSA-N
XLogP3.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride
CID 137346959
(3R)-3-methoxycarbonyl-6-phenylhexanoic acid
CID 67881908
methyl 2-amino-6-phenylhexanoate
CID 76830671
methyl 4-methyl-3-oxo-2-(2-phenylethyl)pentanoate
CID 18370896
methyl 2-(1-bromoethyl)-5-phenylpentanoate
CID 175234788
methyl 2-[methyl-(4-methylphenyl)carbamoyl]butanoate
CID 115187857
methyl 2-fluoro-6-phenylhexanoate
CID 46222020
dimethyl 2-(6-phenylhex-2-ynyl)propanedioate
CID 162402811
diphenyl 2-(3-phenylpropyl)propanedioate
CID 141391929
ethyl 2-acetyl-5-phenylpentanoate
CID 14921745
dimethyl 2-(3-phenylmethoxypropyl)propanedioate
CID 170992106
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(phenyl)carbamoyl]-5-phenylpentanoate?
The IUPAC name of methyl 2-[methyl(phenyl)carbamoyl]-5-phenylpentanoate (CID 122388738) is methyl 2-[methyl(phenyl)carbamoyl]-5-phenylpentanoate.
What is the SMILES notation for methyl 2-[methyl(phenyl)carbamoyl]-5-phenylpentanoate?
The canonical SMILES for methyl 2-[methyl(phenyl)carbamoyl]-5-phenylpentanoate is COC(=O)C(CCCc1ccccc1)C(=O)N(C)c1ccccc1.
What is the InChIKey of methyl 2-[methyl(phenyl)carbamoyl]-5-phenylpentanoate?
The InChIKey is GSAZYCFHDJYAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-21(17-13-7-4-8-14-17)19(22)18(20(23)24-2)15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18H,9,12,15H2,1-2H3.
What are the key properties of methyl 2-[methyl(phenyl)carbamoyl]-5-phenylpentanoate?
methyl 2-[methyl(phenyl)carbamoyl]-5-phenylpentanoate has a molecular weight of 325.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(phenyl)carbamoyl]-5-phenylpentanoate is sourced from PubChem (CID 122388738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).