methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate

C18H19NO4 — CID 2792535

IUPACmethyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H19NO4/c1-13(18(21)22-2)23-16-10-8-15(9-11-16)17(20)19-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,19,20)
InChIKeyNZBMIXIFJDWTLM-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.56
Rot. Bonds6

About methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate

methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate (PubChem CID 2792535) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate
PubChem CID2792535
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H19NO4/c1-13(18(21)22-2)23-16-10-8-15(9-11-16)17(20)19-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,19,20)
InChIKeyNZBMIXIFJDWTLM-UHFFFAOYSA-N
XLogP2.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
CID 4252954
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
methyl 2-(4-phenylmethoxyphenoxy)propanoate
CID 13093988
N-benzyl-4-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 43887414
N-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 1179514
N-benzyl-3-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]oxybenzamide
CID 9253337
methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245
N-benzyl-4-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7709326
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
CID 9239248

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate?
The IUPAC name of methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate (CID 2792535) is methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate.
What is the SMILES notation for methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate?
The canonical SMILES for methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate is COC(=O)C(C)Oc1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate?
The InChIKey is NZBMIXIFJDWTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13(18(21)22-2)23-16-10-8-15(9-11-16)17(20)19-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,19,20).
What are the key properties of methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate?
methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate has a molecular weight of 313.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(benzylcarbamoyl)phenoxy]propanoate is sourced from PubChem (CID 2792535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).