methyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate

C22H26N2O4 — CID 55396943

IUPACmethyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)Cc2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C22H26N2O4/c1-15(2)12-16-4-6-17(7-5-16)13-20(25)24-19-10-8-18(9-11-19)22(27)23-14-21(26)28-3/h4-11,15H,12-14H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyGMDCENNOWIODSM-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.97
Rot. Bonds8

About methyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate

methyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate (PubChem CID 55396943) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is methyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate
PubChem CID55396943
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Namemethyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)Cc2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C22H26N2O4/c1-15(2)12-16-4-6-17(7-5-16)13-20(25)24-19-10-8-18(9-11-19)22(27)23-14-21(26)28-3/h4-11,15H,12-14H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyGMDCENNOWIODSM-UHFFFAOYSA-N
XLogP2.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
methyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate
CID 46569462
2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid
CID 119220369
methyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 10987436
methyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride
CID 119692969
methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate
CID 46828278
methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 9049144
3-[4-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120540687
methyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate
CID 47033094
methyl 2-[[2-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55781819
methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
CID 43404732
trimethyl-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]phenyl]methyl]azanium iodide
CID 10115860

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate (CID 55396943) is methyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(NC(=O)Cc2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of methyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate?
The InChIKey is GMDCENNOWIODSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15(2)12-16-4-6-17(7-5-16)13-20(25)24-19-10-8-18(9-11-19)22(27)23-14-21(26)28-3/h4-11,15H,12-14H2,1-3H3,(H,23,27)(H,24,25).
What are the key properties of methyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate?
methyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate has a molecular weight of 382.46 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 55396943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).