ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate

C20H25NO4 — CID 122182969

IUPACethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate
SMILESCCOC(=O)CNC(=O)CCCCCOc1cccc2ccccc12
InChIInChI=1S/C20H25NO4/c1-2-24-20(23)15-21-19(22)13-4-3-7-14-25-18-12-8-10-16-9-5-6-11-17(16)18/h5-6,8-12H,2-4,7,13-15H2,1H3,(H,21,22)
InChIKeyFLKUUIABSQJJHM-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.46
Rot. Bonds10

About ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate

ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate (PubChem CID 122182969) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate
PubChem CID122182969
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Nameethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate
SMILESCCOC(=O)CNC(=O)CCCCCOc1cccc2ccccc12
InChIInChI=1S/C20H25NO4/c1-2-24-20(23)15-21-19(22)13-4-3-7-14-25-18-12-8-10-16-9-5-6-11-17(16)18/h5-6,8-12H,2-4,7,13-15H2,1H3,(H,21,22)
InChIKeyFLKUUIABSQJJHM-UHFFFAOYSA-N
XLogP3.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 19-anthracen-1-yloxynonadecanoate
CID 175607147
ethyl 15-anthracen-1-yloxypentadecanoate
CID 175607190
ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate
CID 129012663
2-naphthalen-1-yloxyethyl octadecanoate
CID 154105287
ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate
CID 86662491
ethyl 2-(4-phenylsulfanylbutanoylamino)acetate
CID 14708923
ethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate
CID 86662492
N-[(2-ethoxy-4-pyridinyl)methyl]-4-naphthalen-1-yloxybutanamide
CID 55707854
ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate
CID 60812238
10-O-naphthalen-1-yl 1-O-pentyl decanedioate
CID 91718885
ethyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]acetate
CID 4077817
N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide
CID 46469275

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate?
The IUPAC name of ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate (CID 122182969) is ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate.
What is the SMILES notation for ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate?
The canonical SMILES for ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate is CCOC(=O)CNC(=O)CCCCCOc1cccc2ccccc12.
What is the InChIKey of ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate?
The InChIKey is FLKUUIABSQJJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-2-24-20(23)15-21-19(22)13-4-3-7-14-25-18-12-8-10-16-9-5-6-11-17(16)18/h5-6,8-12H,2-4,7,13-15H2,1H3,(H,21,22).
What are the key properties of ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate?
ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate has a molecular weight of 343.42 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate is sourced from PubChem (CID 122182969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).