ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate

C19H21NO4 — CID 86017823

IUPACethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
SMILESCCOC(=O)NC(CC(=O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C19H21NO4/c1-3-24-19(22)20-17(14-9-11-16(23-2)12-10-14)13-18(21)15-7-5-4-6-8-15/h4-12,17H,3,13H2,1-2H3,(H,20,22)
InChIKeyFMJVXXJSXAFYEZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.76
Rot. Bonds7

About ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate

ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate (PubChem CID 86017823) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
PubChem CID86017823
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
SMILESCCOC(=O)NC(CC(=O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C19H21NO4/c1-3-24-19(22)20-17(14-9-11-16(23-2)12-10-14)13-18(21)15-7-5-4-6-8-15/h4-12,17H,3,13H2,1-2H3,(H,20,22)
InChIKeyFMJVXXJSXAFYEZ-UHFFFAOYSA-N
XLogP3.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
CID 102386370
3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 15639389
ethyl N-[1-(2-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
CID 102157365
diethyl 2-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]propanedioate
CID 97304069
3-(ethoxycarbonylamino)-3-phenylpropanoic acid;hydrochloride
CID 174330958
ethyl N-[2-benzoyl-3-hydroxy-1-(4-methoxyphenyl)-3-phenylprop-2-enyl]carbamate
CID 4224876
methyl N-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]carbamate
CID 102020553
3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 132592185
(3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 100816884
(3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 704697
3-(hydroxymethylsulfanyl)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 66695276
ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate
CID 126003498

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate?
The IUPAC name of ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate (CID 86017823) is ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate.
What is the SMILES notation for ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate?
The canonical SMILES for ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate is CCOC(=O)NC(CC(=O)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate?
The InChIKey is FMJVXXJSXAFYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-24-19(22)20-17(14-9-11-16(23-2)12-10-14)13-18(21)15-7-5-4-6-8-15/h4-12,17H,3,13H2,1-2H3,(H,20,22).
What are the key properties of ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate?
ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate has a molecular weight of 327.38 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate is sourced from PubChem (CID 86017823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).