ethyl N-[1-(2-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate

C19H21NO4 — CID 102157365

IUPACethyl N-[1-(2-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
SMILESCCOC(=O)NC(CC(=O)c1ccccc1)c1ccccc1OC
InChIInChI=1S/C19H21NO4/c1-3-24-19(22)20-16(15-11-7-8-12-18(15)23-2)13-17(21)14-9-5-4-6-10-14/h4-12,16H,3,13H2,1-2H3,(H,20,22)
InChIKeyJITYRJSVIYVKMR-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.76
Rot. Bonds7

About ethyl N-[1-(2-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate

ethyl N-[1-(2-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate (PubChem CID 102157365) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl N-[1-(2-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(2-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
PubChem CID102157365
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl N-[1-(2-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
SMILESCCOC(=O)NC(CC(=O)c1ccccc1)c1ccccc1OC
InChIInChI=1S/C19H21NO4/c1-3-24-19(22)20-16(15-11-7-8-12-18(15)23-2)13-17(21)14-9-5-4-6-10-14/h4-12,16H,3,13H2,1-2H3,(H,20,22)
InChIKeyJITYRJSVIYVKMR-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

ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
CID 86017823
3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 44630853
benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
CID 102386370
3-(ethoxycarbonylamino)-3-phenylpropanoic acid;hydrochloride
CID 174330958
ethyl 3-cyano-3-(2-methoxyphenyl)propanoate
CID 112508157
2-[1-(2-methoxyphenyl)-3-oxo-3-phenylpropyl]propanedinitrile
CID 5087729
(3S)-3-(2-ethoxyphenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103667821
3-(2-ethoxyphenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103667878
(3R)-3-(2-ethoxyphenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103667853
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599
methyl N-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]carbamate
CID 102020553

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(2-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate?
The IUPAC name of ethyl N-[1-(2-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate (CID 102157365) is ethyl N-[1-(2-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate.
What is the SMILES notation for ethyl N-[1-(2-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate?
The canonical SMILES for ethyl N-[1-(2-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate is CCOC(=O)NC(CC(=O)c1ccccc1)c1ccccc1OC.
What is the InChIKey of ethyl N-[1-(2-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate?
The InChIKey is JITYRJSVIYVKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-24-19(22)20-16(15-11-7-8-12-18(15)23-2)13-17(21)14-9-5-4-6-10-14/h4-12,16H,3,13H2,1-2H3,(H,20,22).
What are the key properties of ethyl N-[1-(2-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate?
ethyl N-[1-(2-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-(2-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate is sourced from PubChem (CID 102157365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).