ethyl 2-[(4-pentoxybenzoyl)amino]acetate

C16H23NO4 — CID 4935106

IUPACethyl 2-[(4-pentoxybenzoyl)amino]acetate
SMILESCCCCCOc1ccc(C(=O)NCC(=O)OCC)cc1
InChIInChI=1S/C16H23NO4/c1-3-5-6-11-21-14-9-7-13(8-10-14)16(19)17-12-15(18)20-4-2/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)
InChIKeyMWLOEISOUMCWMB-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.55
Rot. Bonds9

About ethyl 2-[(4-pentoxybenzoyl)amino]acetate

ethyl 2-[(4-pentoxybenzoyl)amino]acetate (PubChem CID 4935106) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-[(4-pentoxybenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-pentoxybenzoyl)amino]acetate
PubChem CID4935106
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 2-[(4-pentoxybenzoyl)amino]acetate
SMILESCCCCCOc1ccc(C(=O)NCC(=O)OCC)cc1
InChIInChI=1S/C16H23NO4/c1-3-5-6-11-21-14-9-7-13(8-10-14)16(19)17-12-15(18)20-4-2/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)
InChIKeyMWLOEISOUMCWMB-UHFFFAOYSA-N
XLogP2.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.55
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 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
CID 4948251
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 27928920
tridecyl 2-[(4-ethylbenzoyl)amino]acetate
CID 6422884
4-pentoxybenzohydrazide
CID 2727702
ethyl 3-(4-octadecoxyphenyl)-3-oxopropanoate
CID 21470678
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885655
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885614
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7905904
methyl 4-[[2-oxo-2-(4-pentoxyphenyl)ethyl]carbamoyl]benzoate
CID 58428313
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
4-butoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786044
4-butoxy-N-hexadecylbenzamide
CID 4936106

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-pentoxybenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-pentoxybenzoyl)amino]acetate (CID 4935106) is ethyl 2-[(4-pentoxybenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-pentoxybenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-pentoxybenzoyl)amino]acetate is CCCCCOc1ccc(C(=O)NCC(=O)OCC)cc1.
What is the InChIKey of ethyl 2-[(4-pentoxybenzoyl)amino]acetate?
The InChIKey is MWLOEISOUMCWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-5-6-11-21-14-9-7-13(8-10-14)16(19)17-12-15(18)20-4-2/h7-10H,3-6,11-12H2,1-2H3,(H,17,19).
What are the key properties of ethyl 2-[(4-pentoxybenzoyl)amino]acetate?
ethyl 2-[(4-pentoxybenzoyl)amino]acetate has a molecular weight of 293.36 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-pentoxybenzoyl)amino]acetate is sourced from PubChem (CID 4935106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).