7-(1,3-dioxoisoindol-2-yl)-N-(1-phenyl-3-propan-2-ylindol-2-yl)heptanamide

C32H33N3O3 — CID 3071690

IUPAC7-(1,3-dioxoisoindol-2-yl)-N-(1-phenyl-3-propan-2-ylindol-2-yl)heptanamide
SMILESCC(C)c1c(NC(=O)CCCCCCN2C(=O)c3ccccc3C2=O)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C32H33N3O3/c1-22(2)29-26-18-11-12-19-27(26)35(23-14-6-5-7-15-23)30(29)33-28(36)20-8-3-4-13-21-34-31(37)24-16-9-10-17-25(24)32(34)38/h5-7,9-12,14-19,22H,3-4,8,13,20-21H2,1-2H3,(H,33,36)
InChIKeyCZSLPCYTXBNIDG-UHFFFAOYSA-N
MW507.63 g/mol
LogP6.94
Rot. Bonds10

About 7-(1,3-dioxoisoindol-2-yl)-N-(1-phenyl-3-propan-2-ylindol-2-yl)heptanamide

7-(1,3-dioxoisoindol-2-yl)-N-(1-phenyl-3-propan-2-ylindol-2-yl)heptanamide (PubChem CID 3071690) has the molecular formula C32H33N3O3 and a molecular weight of 507.63 g/mol. Its IUPAC name is 7-(1,3-dioxoisoindol-2-yl)-N-(1-phenyl-3-propan-2-ylindol-2-yl)heptanamide.

Molecular Properties

Compound Name7-(1,3-dioxoisoindol-2-yl)-N-(1-phenyl-3-propan-2-ylindol-2-yl)heptanamide
PubChem CID3071690
Molecular FormulaC32H33N3O3
Molecular Weight507.63 g/mol
Exact Mass507.25
IUPAC Name7-(1,3-dioxoisoindol-2-yl)-N-(1-phenyl-3-propan-2-ylindol-2-yl)heptanamide
SMILESCC(C)c1c(NC(=O)CCCCCCN2C(=O)c3ccccc3C2=O)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C32H33N3O3/c1-22(2)29-26-18-11-12-19-27(26)35(23-14-6-5-7-15-23)30(29)33-28(36)20-8-3-4-13-21-34-31(37)24-16-9-10-17-25(24)32(34)38/h5-7,9-12,14-19,22H,3-4,8,13,20-21H2,1-2H3,(H,33,36)
InChIKeyCZSLPCYTXBNIDG-UHFFFAOYSA-N
XLogP6.94
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dioxoisoindol-2-yl)-N-(1-phenyl-3-propan-2-ylindol-2-yl)heptanamide?
The IUPAC name of 7-(1,3-dioxoisoindol-2-yl)-N-(1-phenyl-3-propan-2-ylindol-2-yl)heptanamide (CID 3071690) is 7-(1,3-dioxoisoindol-2-yl)-N-(1-phenyl-3-propan-2-ylindol-2-yl)heptanamide.
What is the SMILES notation for 7-(1,3-dioxoisoindol-2-yl)-N-(1-phenyl-3-propan-2-ylindol-2-yl)heptanamide?
The canonical SMILES for 7-(1,3-dioxoisoindol-2-yl)-N-(1-phenyl-3-propan-2-ylindol-2-yl)heptanamide is CC(C)c1c(NC(=O)CCCCCCN2C(=O)c3ccccc3C2=O)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of 7-(1,3-dioxoisoindol-2-yl)-N-(1-phenyl-3-propan-2-ylindol-2-yl)heptanamide?
The InChIKey is CZSLPCYTXBNIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O3/c1-22(2)29-26-18-11-12-19-27(26)35(23-14-6-5-7-15-23)30(29)33-28(36)20-8-3-4-13-21-34-31(37)24-16-9-10-17-25(24)32(34)38/h5-7,9-12,14-19,22H,3-4,8,13,20-21H2,1-2H3,(H,33,36).
What are the key properties of 7-(1,3-dioxoisoindol-2-yl)-N-(1-phenyl-3-propan-2-ylindol-2-yl)heptanamide?
7-(1,3-dioxoisoindol-2-yl)-N-(1-phenyl-3-propan-2-ylindol-2-yl)heptanamide has a molecular weight of 507.63 g/mol, XLogP of 6.94, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-dioxoisoindol-2-yl)-N-(1-phenyl-3-propan-2-ylindol-2-yl)heptanamide is sourced from PubChem (CID 3071690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).