methyl 5-benzamidooxypentanoate

C13H17NO4 — CID 87652749

IUPACmethyl 5-benzamidooxypentanoate
SMILESCOC(=O)CCCCONC(=O)c1ccccc1
InChIInChI=1S/C13H17NO4/c1-17-12(15)9-5-6-10-18-14-13(16)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3,(H,14,16)
InChIKeyDEQKFPSGERJYBA-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.69
Rot. Bonds7

About methyl 5-benzamidooxypentanoate

methyl 5-benzamidooxypentanoate (PubChem CID 87652749) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 5-benzamidooxypentanoate.

Molecular Properties

Compound Namemethyl 5-benzamidooxypentanoate
PubChem CID87652749
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl 5-benzamidooxypentanoate
SMILESCOC(=O)CCCCONC(=O)c1ccccc1
InChIInChI=1S/C13H17NO4/c1-17-12(15)9-5-6-10-18-14-13(16)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3,(H,14,16)
InChIKeyDEQKFPSGERJYBA-UHFFFAOYSA-N
XLogP1.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
CID 71520627
methyl 4-benzamidobutanoate
CID 13197711
N-(2-fluoroethoxy)benzamide
CID 142724963
methyl 13-(phenylcarbamoyloxy)tridecanoate
CID 4152739
methyl 8-phenylmethoxyoctanoate
CID 562206
methyl 5-trityloxypentanoate
CID 171841896
methyl 8,8-diphenyloct-7-enoate
CID 13104337
dimethyl hexanedioate;stannane
CID 173290076
methyl 5-hydroxyimino-5-phenylpentanoate
CID 85308138
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
methyl 5-[(2S,3R,4R)-3,4-dibenzamidothiolan-2-yl]pentanoate
CID 124716300
methyl 5-[(2S,3S,4R)-3,4-dibenzamidothiolan-2-yl]pentanoate
CID 26413354

Frequently Asked Questions

What is the IUPAC name of methyl 5-benzamidooxypentanoate?
The IUPAC name of methyl 5-benzamidooxypentanoate (CID 87652749) is methyl 5-benzamidooxypentanoate.
What is the SMILES notation for methyl 5-benzamidooxypentanoate?
The canonical SMILES for methyl 5-benzamidooxypentanoate is COC(=O)CCCCONC(=O)c1ccccc1.
What is the InChIKey of methyl 5-benzamidooxypentanoate?
The InChIKey is DEQKFPSGERJYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-17-12(15)9-5-6-10-18-14-13(16)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3,(H,14,16).
What are the key properties of methyl 5-benzamidooxypentanoate?
methyl 5-benzamidooxypentanoate has a molecular weight of 251.28 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-benzamidooxypentanoate is sourced from PubChem (CID 87652749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).