11-[[1-[1-[2-[[2-(2,4-dimethylhexan-2-yloxy)-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]-2-methylbutan-2-yl]amino]undecanoic acid

C37H66N4O7 — CID 90757859

IUPAC11-[[1-[1-[2-[[2-(2,4-dimethylhexan-2-yloxy)-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]-2-methylbutan-2-yl]amino]undecanoic acid
SMILESCCC(C)CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C(=O)Cn1ccnc1CC(C)(CC)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C37H66N4O7/c1-10-29(3)24-36(7,8)48-34(46)28-41(27-33(45)47-35(4,5)6)31(42)26-40-23-22-38-30(40)25-37(9,11-2)39-21-19-17-15-13-12-14-16-18-20-32(43)44/h22-23,29,39H,10-21,24-28H2,1-9H3,(H,43,44)
InChIKeyKKUJPHVRPXPOAV-UHFFFAOYSA-N
MW678.96 g/mol
LogP6.71
Rot. Bonds25

About 11-[[1-[1-[2-[[2-(2,4-dimethylhexan-2-yloxy)-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]-2-methylbutan-2-yl]amino]undecanoic acid

11-[[1-[1-[2-[[2-(2,4-dimethylhexan-2-yloxy)-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]-2-methylbutan-2-yl]amino]undecanoic acid (PubChem CID 90757859) has the molecular formula C37H66N4O7 and a molecular weight of 678.96 g/mol. Its IUPAC name is 11-[[1-[1-[2-[[2-(2,4-dimethylhexan-2-yloxy)-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]-2-methylbutan-2-yl]amino]undecanoic acid.

Molecular Properties

Compound Name11-[[1-[1-[2-[[2-(2,4-dimethylhexan-2-yloxy)-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]-2-methylbutan-2-yl]amino]undecanoic acid
PubChem CID90757859
Molecular FormulaC37H66N4O7
Molecular Weight678.96 g/mol
Exact Mass678.49
IUPAC Name11-[[1-[1-[2-[[2-(2,4-dimethylhexan-2-yloxy)-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]-2-methylbutan-2-yl]amino]undecanoic acid
SMILESCCC(C)CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C(=O)Cn1ccnc1CC(C)(CC)NCCCCCCCCCCC(=O)O
InChIInChI=1S/C37H66N4O7/c1-10-29(3)24-36(7,8)48-34(46)28-41(27-33(45)47-35(4,5)6)31(42)26-40-23-22-38-30(40)25-37(9,11-2)39-21-19-17-15-13-12-14-16-18-20-32(43)44/h22-23,29,39H,10-21,24-28H2,1-9H3,(H,43,44)
InChIKeyKKUJPHVRPXPOAV-UHFFFAOYSA-N
XLogP6.71
TPSA140.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.96
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 11-[[1-[1-[2-[[2-(2,4-dimethylhexan-2-yloxy)-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]-2-methylbutan-2-yl]amino]undecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-[[1-[1-[2-[[2-(2,4-dimethylhexan-2-yloxy)-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]-2-methylbutan-2-yl]amino]undecanoic acid?
The IUPAC name of 11-[[1-[1-[2-[[2-(2,4-dimethylhexan-2-yloxy)-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]-2-methylbutan-2-yl]amino]undecanoic acid (CID 90757859) is 11-[[1-[1-[2-[[2-(2,4-dimethylhexan-2-yloxy)-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]-2-methylbutan-2-yl]amino]undecanoic acid.
What is the SMILES notation for 11-[[1-[1-[2-[[2-(2,4-dimethylhexan-2-yloxy)-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]-2-methylbutan-2-yl]amino]undecanoic acid?
The canonical SMILES for 11-[[1-[1-[2-[[2-(2,4-dimethylhexan-2-yloxy)-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]-2-methylbutan-2-yl]amino]undecanoic acid is CCC(C)CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C(=O)Cn1ccnc1CC(C)(CC)NCCCCCCCCCCC(=O)O.
What is the InChIKey of 11-[[1-[1-[2-[[2-(2,4-dimethylhexan-2-yloxy)-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]-2-methylbutan-2-yl]amino]undecanoic acid?
The InChIKey is KKUJPHVRPXPOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H66N4O7/c1-10-29(3)24-36(7,8)48-34(46)28-41(27-33(45)47-35(4,5)6)31(42)26-40-23-22-38-30(40)25-37(9,11-2)39-21-19-17-15-13-12-14-16-18-20-32(43)44/h22-23,29,39H,10-21,24-28H2,1-9H3,(H,43,44).
What are the key properties of 11-[[1-[1-[2-[[2-(2,4-dimethylhexan-2-yloxy)-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]-2-methylbutan-2-yl]amino]undecanoic acid?
11-[[1-[1-[2-[[2-(2,4-dimethylhexan-2-yloxy)-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]-2-methylbutan-2-yl]amino]undecanoic acid has a molecular weight of 678.96 g/mol, XLogP of 6.71, 25 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[[1-[1-[2-[[2-(2,4-dimethylhexan-2-yloxy)-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]-2-methylbutan-2-yl]amino]undecanoic acid is sourced from PubChem (CID 90757859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).