3-[2-[(2-methylbenzoyl)amino]acetyl]oxypropyl 2-[(2-methylbenzoyl)amino]acetate

C23H26N2O6 — CID 18231313

IUPAC3-[2-[(2-methylbenzoyl)amino]acetyl]oxypropyl 2-[(2-methylbenzoyl)amino]acetate
SMILESCc1ccccc1C(=O)NCC(=O)OCCCOC(=O)CNC(=O)c1ccccc1C
InChIInChI=1S/C23H26N2O6/c1-16-8-3-5-10-18(16)22(28)24-14-20(26)30-12-7-13-31-21(27)15-25-23(29)19-11-6-4-9-17(19)2/h3-6,8-11H,7,12-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyNCWMTOLZBPSHPC-UHFFFAOYSA-N
MW426.47 g/mol
LogP1.94
Rot. Bonds10

About 3-[2-[(2-methylbenzoyl)amino]acetyl]oxypropyl 2-[(2-methylbenzoyl)amino]acetate

3-[2-[(2-methylbenzoyl)amino]acetyl]oxypropyl 2-[(2-methylbenzoyl)amino]acetate (PubChem CID 18231313) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is 3-[2-[(2-methylbenzoyl)amino]acetyl]oxypropyl 2-[(2-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name3-[2-[(2-methylbenzoyl)amino]acetyl]oxypropyl 2-[(2-methylbenzoyl)amino]acetate
PubChem CID18231313
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Name3-[2-[(2-methylbenzoyl)amino]acetyl]oxypropyl 2-[(2-methylbenzoyl)amino]acetate
SMILESCc1ccccc1C(=O)NCC(=O)OCCCOC(=O)CNC(=O)c1ccccc1C
InChIInChI=1S/C23H26N2O6/c1-16-8-3-5-10-18(16)22(28)24-14-20(26)30-12-7-13-31-21(27)15-25-23(29)19-11-6-4-9-17(19)2/h3-6,8-11H,7,12-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyNCWMTOLZBPSHPC-UHFFFAOYSA-N
XLogP1.94
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylbenzoyl)amino]acetyl]oxypropyl 2-[(2-methylbenzoyl)amino]acetate?
The IUPAC name of 3-[2-[(2-methylbenzoyl)amino]acetyl]oxypropyl 2-[(2-methylbenzoyl)amino]acetate (CID 18231313) is 3-[2-[(2-methylbenzoyl)amino]acetyl]oxypropyl 2-[(2-methylbenzoyl)amino]acetate.
What is the SMILES notation for 3-[2-[(2-methylbenzoyl)amino]acetyl]oxypropyl 2-[(2-methylbenzoyl)amino]acetate?
The canonical SMILES for 3-[2-[(2-methylbenzoyl)amino]acetyl]oxypropyl 2-[(2-methylbenzoyl)amino]acetate is Cc1ccccc1C(=O)NCC(=O)OCCCOC(=O)CNC(=O)c1ccccc1C.
What is the InChIKey of 3-[2-[(2-methylbenzoyl)amino]acetyl]oxypropyl 2-[(2-methylbenzoyl)amino]acetate?
The InChIKey is NCWMTOLZBPSHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-16-8-3-5-10-18(16)22(28)24-14-20(26)30-12-7-13-31-21(27)15-25-23(29)19-11-6-4-9-17(19)2/h3-6,8-11H,7,12-15H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 3-[2-[(2-methylbenzoyl)amino]acetyl]oxypropyl 2-[(2-methylbenzoyl)amino]acetate?
3-[2-[(2-methylbenzoyl)amino]acetyl]oxypropyl 2-[(2-methylbenzoyl)amino]acetate has a molecular weight of 426.47 g/mol, XLogP of 1.94, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylbenzoyl)amino]acetyl]oxypropyl 2-[(2-methylbenzoyl)amino]acetate is sourced from PubChem (CID 18231313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).