ethyl N-[4-methyl-2-(3-oxo-1-phenylbutyl)phenyl]carbamate

C20H23NO3 — CID 71322891

IUPACethyl N-[4-methyl-2-(3-oxo-1-phenylbutyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C)cc1C(CC(C)=O)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-4-24-20(23)21-19-11-10-14(2)12-18(19)17(13-15(3)22)16-8-6-5-7-9-16/h5-12,17H,4,13H2,1-3H3,(H,21,23)
InChIKeyHRIDOMLDCSQZFZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.67
Rot. Bonds6

About ethyl N-[4-methyl-2-(3-oxo-1-phenylbutyl)phenyl]carbamate

ethyl N-[4-methyl-2-(3-oxo-1-phenylbutyl)phenyl]carbamate (PubChem CID 71322891) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl N-[4-methyl-2-(3-oxo-1-phenylbutyl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-methyl-2-(3-oxo-1-phenylbutyl)phenyl]carbamate
PubChem CID71322891
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nameethyl N-[4-methyl-2-(3-oxo-1-phenylbutyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C)cc1C(CC(C)=O)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-4-24-20(23)21-19-11-10-14(2)12-18(19)17(13-15(3)22)16-8-6-5-7-9-16/h5-12,17H,4,13H2,1-3H3,(H,21,23)
InChIKeyHRIDOMLDCSQZFZ-UHFFFAOYSA-N
XLogP4.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-methyl-2-(3-oxo-1-phenylbutyl)phenyl]carbamate?
The IUPAC name of ethyl N-[4-methyl-2-(3-oxo-1-phenylbutyl)phenyl]carbamate (CID 71322891) is ethyl N-[4-methyl-2-(3-oxo-1-phenylbutyl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-methyl-2-(3-oxo-1-phenylbutyl)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-methyl-2-(3-oxo-1-phenylbutyl)phenyl]carbamate is CCOC(=O)Nc1ccc(C)cc1C(CC(C)=O)c1ccccc1.
What is the InChIKey of ethyl N-[4-methyl-2-(3-oxo-1-phenylbutyl)phenyl]carbamate?
The InChIKey is HRIDOMLDCSQZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-24-20(23)21-19-11-10-14(2)12-18(19)17(13-15(3)22)16-8-6-5-7-9-16/h5-12,17H,4,13H2,1-3H3,(H,21,23).
What are the key properties of ethyl N-[4-methyl-2-(3-oxo-1-phenylbutyl)phenyl]carbamate?
ethyl N-[4-methyl-2-(3-oxo-1-phenylbutyl)phenyl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-methyl-2-(3-oxo-1-phenylbutyl)phenyl]carbamate is sourced from PubChem (CID 71322891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).