methyl N-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate

C18H15NO5 — CID 15153385

IUPACmethyl N-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate
SMILESCOC(=O)NC(=O)C(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H15NO5/c1-24-18(23)19-17(22)14(15(20)12-8-4-2-5-9-12)16(21)13-10-6-3-7-11-13/h2-11,14H,1H3,(H,19,22,23)
InChIKeyHHVAPZUUEVUNLV-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.25
Rot. Bonds5

About methyl N-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate

methyl N-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate (PubChem CID 15153385) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is methyl N-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate
PubChem CID15153385
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Namemethyl N-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate
SMILESCOC(=O)NC(=O)C(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H15NO5/c1-24-18(23)19-17(22)14(15(20)12-8-4-2-5-9-12)16(21)13-10-6-3-7-11-13/h2-11,14H,1H3,(H,19,22,23)
InChIKeyHHVAPZUUEVUNLV-UHFFFAOYSA-N
XLogP2.25
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
CID 766450
methyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 164938680
1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione
CID 102162472
methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate
CID 135740500
methyl N-(N-methoxy-C-phenylcarbonimidoyl)carbamate
CID 135526711
methyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate
CID 7085514
dimethyl 2-(4-phenylbenzoyl)propanedioate
CID 10852564
methyl (Z)-3-(methoxycarbonylamino)-2,3-diphenylprop-2-enoate
CID 57388071
methyl 2-bromo-3-oxo-3-phenylpropanoate
CID 71438799
4-benzoylheptane-3,5-dione
CID 107431218
2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione
CID 641430
methyl N-(1-phenylbut-1-enyl)carbamate
CID 131886313

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate?
The IUPAC name of methyl N-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate (CID 15153385) is methyl N-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate.
What is the SMILES notation for methyl N-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate?
The canonical SMILES for methyl N-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate is COC(=O)NC(=O)C(C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of methyl N-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate?
The InChIKey is HHVAPZUUEVUNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-24-18(23)19-17(22)14(15(20)12-8-4-2-5-9-12)16(21)13-10-6-3-7-11-13/h2-11,14H,1H3,(H,19,22,23).
What are the key properties of methyl N-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate?
methyl N-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate has a molecular weight of 325.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate is sourced from PubChem (CID 15153385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).