ethyl 6-(phenylmethoxyamino)hexanoate

C15H23NO3 — CID 64974453

IUPACethyl 6-(phenylmethoxyamino)hexanoate
SMILESCCOC(=O)CCCCCNOCc1ccccc1
InChIInChI=1S/C15H23NO3/c1-2-18-15(17)11-7-4-8-12-16-19-13-14-9-5-3-6-10-14/h3,5-6,9-10,16H,2,4,7-8,11-13H2,1H3
InChIKeyGDHLKBUFKLFPBF-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.83
Rot. Bonds10

About ethyl 6-(phenylmethoxyamino)hexanoate

ethyl 6-(phenylmethoxyamino)hexanoate (PubChem CID 64974453) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 6-(phenylmethoxyamino)hexanoate.

Molecular Properties

Compound Nameethyl 6-(phenylmethoxyamino)hexanoate
PubChem CID64974453
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 6-(phenylmethoxyamino)hexanoate
SMILESCCOC(=O)CCCCCNOCc1ccccc1
InChIInChI=1S/C15H23NO3/c1-2-18-15(17)11-7-4-8-12-16-19-13-14-9-5-3-6-10-14/h3,5-6,9-10,16H,2,4,7-8,11-13H2,1H3
InChIKeyGDHLKBUFKLFPBF-UHFFFAOYSA-N
XLogP2.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.83
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

ethyl 6-[(2-phenylacetyl)amino]hexanoate
CID 46844441
ethyl 5-(benzylamino)pentanoate;hydrochloride
CID 6602878
ethyl 11-(4-phenylmethoxyphenoxy)undecanoate
CID 21259961
4-(phenylmethoxyamino)butanoic acid;hydrochloride
CID 139029466
benzyl heptadecanoate
CID 522569
ethyl 7-[(N-benzyl-N'-methylcarbamimidoyl)amino]heptanoate
CID 110954738
ethyl 4-[4-(phenylmethoxymethyl)phenoxy]butanoate
CID 22340613
4-bromo-N-phenylmethoxybutan-1-amine
CID 71377323
1-O-ethyl 10-O-[(4-iodophenyl)methyl] decanedioate
CID 91735271
benzyl 12-oxotridecanoate
CID 21035822
ethyl 2-(2-oxo-2-phenylmethoxyethyl)sulfanylacetate
CID 4101849
ethyl 16-(2-phenylethylcarbamoylamino)hexadec-6-enoate
CID 123960466

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(phenylmethoxyamino)hexanoate?
The IUPAC name of ethyl 6-(phenylmethoxyamino)hexanoate (CID 64974453) is ethyl 6-(phenylmethoxyamino)hexanoate.
What is the SMILES notation for ethyl 6-(phenylmethoxyamino)hexanoate?
The canonical SMILES for ethyl 6-(phenylmethoxyamino)hexanoate is CCOC(=O)CCCCCNOCc1ccccc1.
What is the InChIKey of ethyl 6-(phenylmethoxyamino)hexanoate?
The InChIKey is GDHLKBUFKLFPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-18-15(17)11-7-4-8-12-16-19-13-14-9-5-3-6-10-14/h3,5-6,9-10,16H,2,4,7-8,11-13H2,1H3.
What are the key properties of ethyl 6-(phenylmethoxyamino)hexanoate?
ethyl 6-(phenylmethoxyamino)hexanoate has a molecular weight of 265.35 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(phenylmethoxyamino)hexanoate is sourced from PubChem (CID 64974453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).