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

C18H26N2O5 — CID 657567

IUPACethyl 2-[[2-[(4-pentoxybenzoyl)amino]acetyl]amino]acetate
SMILESCCCCCOc1ccc(C(=O)NCC(=O)NCC(=O)OCC)cc1
InChIInChI=1S/C18H26N2O5/c1-3-5-6-11-25-15-9-7-14(8-10-15)18(23)20-12-16(21)19-13-17(22)24-4-2/h7-10H,3-6,11-13H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyGRXVFIMHIZXNTO-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.66
Rot. Bonds11

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

ethyl 2-[[2-[(4-pentoxybenzoyl)amino]acetyl]amino]acetate (PubChem CID 657567) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl 2-[[2-[(4-pentoxybenzoyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(4-pentoxybenzoyl)amino]acetyl]amino]acetate
PubChem CID657567
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Nameethyl 2-[[2-[(4-pentoxybenzoyl)amino]acetyl]amino]acetate
SMILESCCCCCOc1ccc(C(=O)NCC(=O)NCC(=O)OCC)cc1
InChIInChI=1S/C18H26N2O5/c1-3-5-6-11-25-15-9-7-14(8-10-15)18(23)20-12-16(21)19-13-17(22)24-4-2/h7-10H,3-6,11-13H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyGRXVFIMHIZXNTO-UHFFFAOYSA-N
XLogP1.66
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(4-pentoxybenzoyl)amino]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[(4-pentoxybenzoyl)amino]acetyl]amino]acetate (CID 657567) is ethyl 2-[[2-[(4-pentoxybenzoyl)amino]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[(4-pentoxybenzoyl)amino]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[(4-pentoxybenzoyl)amino]acetyl]amino]acetate is CCCCCOc1ccc(C(=O)NCC(=O)NCC(=O)OCC)cc1.
What is the InChIKey of ethyl 2-[[2-[(4-pentoxybenzoyl)amino]acetyl]amino]acetate?
The InChIKey is GRXVFIMHIZXNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-3-5-6-11-25-15-9-7-14(8-10-15)18(23)20-12-16(21)19-13-17(22)24-4-2/h7-10H,3-6,11-13H2,1-2H3,(H,19,21)(H,20,23).
What are the key properties of ethyl 2-[[2-[(4-pentoxybenzoyl)amino]acetyl]amino]acetate?
ethyl 2-[[2-[(4-pentoxybenzoyl)amino]acetyl]amino]acetate has a molecular weight of 350.42 g/mol, XLogP of 1.66, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(4-pentoxybenzoyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 657567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).