8-[acetyl-(5-acetyloxy-1-benzoyl-2-methylindol-3-yl)amino]octanoic acid

C28H32N2O6 — CID 142660583

IUPAC8-[acetyl-(5-acetyloxy-1-benzoyl-2-methylindol-3-yl)amino]octanoic acid
SMILESCC(=O)Oc1ccc2c(c1)c(N(CCCCCCCC(=O)O)C(C)=O)c(C)n2C(=O)c1ccccc1
InChIInChI=1S/C28H32N2O6/c1-19-27(29(20(2)31)17-11-6-4-5-10-14-26(33)34)24-18-23(36-21(3)32)15-16-25(24)30(19)28(35)22-12-8-7-9-13-22/h7-9,12-13,15-16,18H,4-6,10-11,14,17H2,1-3H3,(H,33,34)
InChIKeyZZTPICKIZCPKSF-UHFFFAOYSA-N
MW492.57 g/mol
LogP5.34
Rot. Bonds11

About 8-[acetyl-(5-acetyloxy-1-benzoyl-2-methylindol-3-yl)amino]octanoic acid

8-[acetyl-(5-acetyloxy-1-benzoyl-2-methylindol-3-yl)amino]octanoic acid (PubChem CID 142660583) has the molecular formula C28H32N2O6 and a molecular weight of 492.57 g/mol. Its IUPAC name is 8-[acetyl-(5-acetyloxy-1-benzoyl-2-methylindol-3-yl)amino]octanoic acid.

Molecular Properties

Compound Name8-[acetyl-(5-acetyloxy-1-benzoyl-2-methylindol-3-yl)amino]octanoic acid
PubChem CID142660583
Molecular FormulaC28H32N2O6
Molecular Weight492.57 g/mol
Exact Mass492.23
IUPAC Name8-[acetyl-(5-acetyloxy-1-benzoyl-2-methylindol-3-yl)amino]octanoic acid
SMILESCC(=O)Oc1ccc2c(c1)c(N(CCCCCCCC(=O)O)C(C)=O)c(C)n2C(=O)c1ccccc1
InChIInChI=1S/C28H32N2O6/c1-19-27(29(20(2)31)17-11-6-4-5-10-14-26(33)34)24-18-23(36-21(3)32)15-16-25(24)30(19)28(35)22-12-8-7-9-13-22/h7-9,12-13,15-16,18H,4-6,10-11,14,17H2,1-3H3,(H,33,34)
InChIKeyZZTPICKIZCPKSF-UHFFFAOYSA-N
XLogP5.34
TPSA105.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.57
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[acetyl-(5-acetyloxy-1-benzoyl-2-methylindol-3-yl)amino]octanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

6-[acetyl-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]amino]hexanoic acid
CID 142660572
8-[acetyl-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]amino]-N,N-diethyloctanamide
CID 67649900
[3-[acetyl-[8-[butyl(methyl)amino]-8-oxooctyl]amino]-1-benzyl-2-methylindol-5-yl] benzoate
CID 67650651
8-[[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dibutyloctanamide
CID 67563567
N-(1-benzoyl-2-methylindol-3-yl)-N-methylsulfonylacetamide
CID 90862769
4-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]butanoic acid
CID 11235754
[3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone
CID 21313355
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;N,N-dimethylacetamide
CID 70378051
[3-[2-[[1-[butyl(methyl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]-1-(4-chlorobenzoyl)-2-methylindol-5-yl] acetate
CID 67561963
[1-(4-chlorobenzoyl)-3-[2-[[1-(diethylamino)-1-oxooctan-2-yl]amino]-2-oxoethyl]-2-methylindol-5-yl] acetate
CID 67561568
copper bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate)
CID 11848850
bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+)
CID 11848852

Frequently Asked Questions

What is the IUPAC name of 8-[acetyl-(5-acetyloxy-1-benzoyl-2-methylindol-3-yl)amino]octanoic acid?
The IUPAC name of 8-[acetyl-(5-acetyloxy-1-benzoyl-2-methylindol-3-yl)amino]octanoic acid (CID 142660583) is 8-[acetyl-(5-acetyloxy-1-benzoyl-2-methylindol-3-yl)amino]octanoic acid.
What is the SMILES notation for 8-[acetyl-(5-acetyloxy-1-benzoyl-2-methylindol-3-yl)amino]octanoic acid?
The canonical SMILES for 8-[acetyl-(5-acetyloxy-1-benzoyl-2-methylindol-3-yl)amino]octanoic acid is CC(=O)Oc1ccc2c(c1)c(N(CCCCCCCC(=O)O)C(C)=O)c(C)n2C(=O)c1ccccc1.
What is the InChIKey of 8-[acetyl-(5-acetyloxy-1-benzoyl-2-methylindol-3-yl)amino]octanoic acid?
The InChIKey is ZZTPICKIZCPKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O6/c1-19-27(29(20(2)31)17-11-6-4-5-10-14-26(33)34)24-18-23(36-21(3)32)15-16-25(24)30(19)28(35)22-12-8-7-9-13-22/h7-9,12-13,15-16,18H,4-6,10-11,14,17H2,1-3H3,(H,33,34).
What are the key properties of 8-[acetyl-(5-acetyloxy-1-benzoyl-2-methylindol-3-yl)amino]octanoic acid?
8-[acetyl-(5-acetyloxy-1-benzoyl-2-methylindol-3-yl)amino]octanoic acid has a molecular weight of 492.57 g/mol, XLogP of 5.34, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[acetyl-(5-acetyloxy-1-benzoyl-2-methylindol-3-yl)amino]octanoic acid is sourced from PubChem (CID 142660583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).