ethyl 6-[(2-phenylacetyl)amino]hexanoate

C16H23NO3 — CID 46844441

IUPACethyl 6-[(2-phenylacetyl)amino]hexanoate
SMILESCCOC(=O)CCCCCNC(=O)Cc1ccccc1
InChIInChI=1S/C16H23NO3/c1-2-20-16(19)11-7-4-8-12-17-15(18)13-14-9-5-3-6-10-14/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,17,18)
InChIKeyWTJQOHVEZJKHGR-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.47
Rot. Bonds9

About ethyl 6-[(2-phenylacetyl)amino]hexanoate

ethyl 6-[(2-phenylacetyl)amino]hexanoate (PubChem CID 46844441) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 6-[(2-phenylacetyl)amino]hexanoate.

Molecular Properties

Compound Nameethyl 6-[(2-phenylacetyl)amino]hexanoate
PubChem CID46844441
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 6-[(2-phenylacetyl)amino]hexanoate
SMILESCCOC(=O)CCCCCNC(=O)Cc1ccccc1
InChIInChI=1S/C16H23NO3/c1-2-20-16(19)11-7-4-8-12-17-15(18)13-14-9-5-3-6-10-14/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,17,18)
InChIKeyWTJQOHVEZJKHGR-UHFFFAOYSA-N
XLogP2.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate
CID 64580309
ethyl 7-[(N-benzyl-N'-methylcarbamimidoyl)amino]heptanoate
CID 110954738
ethyl 6-(phenylmethoxyamino)hexanoate
CID 64974453
ethyl 5-(benzylamino)pentanoate;hydrochloride
CID 6602878
ethyl 16-(2-phenylethylcarbamoylamino)hexadec-6-enoate
CID 123960466
ethyl 4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]butanoate
CID 134008850
ethyl 4-(3-phenoxypropanoylamino)butanoate
CID 60637552
ethyl 5-(butanoylamino)pentanoate
CID 131842627
N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide
CID 78801953
ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate
CID 23657410
methyl 7-[[2-(4-aminophenyl)acetyl]amino]heptanoate;hydrochloride
CID 119701299
ethyl 2-phenylacetate
CID 7590

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2-phenylacetyl)amino]hexanoate?
The IUPAC name of ethyl 6-[(2-phenylacetyl)amino]hexanoate (CID 46844441) is ethyl 6-[(2-phenylacetyl)amino]hexanoate.
What is the SMILES notation for ethyl 6-[(2-phenylacetyl)amino]hexanoate?
The canonical SMILES for ethyl 6-[(2-phenylacetyl)amino]hexanoate is CCOC(=O)CCCCCNC(=O)Cc1ccccc1.
What is the InChIKey of ethyl 6-[(2-phenylacetyl)amino]hexanoate?
The InChIKey is WTJQOHVEZJKHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-20-16(19)11-7-4-8-12-17-15(18)13-14-9-5-3-6-10-14/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,17,18).
What are the key properties of ethyl 6-[(2-phenylacetyl)amino]hexanoate?
ethyl 6-[(2-phenylacetyl)amino]hexanoate has a molecular weight of 277.36 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2-phenylacetyl)amino]hexanoate is sourced from PubChem (CID 46844441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).