7-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)heptanamide

C30H29N3O3 — CID 3071684

IUPAC7-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)heptanamide
SMILESCc1c(NC(=O)CCCCCCN2C(=O)c3ccccc3C2=O)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C30H29N3O3/c1-21-23-15-10-11-18-26(23)33(22-13-5-4-6-14-22)28(21)31-27(34)19-7-2-3-12-20-32-29(35)24-16-8-9-17-25(24)30(32)36/h4-6,8-11,13-18H,2-3,7,12,19-20H2,1H3,(H,31,34)
InChIKeyJUTCHYCKLJUNBA-UHFFFAOYSA-N
MW479.58 g/mol
LogP6.12
Rot. Bonds9

About 7-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)heptanamide

7-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)heptanamide (PubChem CID 3071684) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is 7-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)heptanamide.

Molecular Properties

Compound Name7-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)heptanamide
PubChem CID3071684
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC Name7-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)heptanamide
SMILESCc1c(NC(=O)CCCCCCN2C(=O)c3ccccc3C2=O)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C30H29N3O3/c1-21-23-15-10-11-18-26(23)33(22-13-5-4-6-14-22)28(21)31-27(34)19-7-2-3-12-20-32-29(35)24-16-8-9-17-25(24)30(32)36/h4-6,8-11,13-18H,2-3,7,12,19-20H2,1H3,(H,31,34)
InChIKeyJUTCHYCKLJUNBA-UHFFFAOYSA-N
XLogP6.12
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 56.12
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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Related Compounds

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CID 24746625
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CID 24746626
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Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)heptanamide?
The IUPAC name of 7-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)heptanamide (CID 3071684) is 7-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)heptanamide.
What is the SMILES notation for 7-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)heptanamide?
The canonical SMILES for 7-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)heptanamide is Cc1c(NC(=O)CCCCCCN2C(=O)c3ccccc3C2=O)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of 7-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)heptanamide?
The InChIKey is JUTCHYCKLJUNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-21-23-15-10-11-18-26(23)33(22-13-5-4-6-14-22)28(21)31-27(34)19-7-2-3-12-20-32-29(35)24-16-8-9-17-25(24)30(32)36/h4-6,8-11,13-18H,2-3,7,12,19-20H2,1H3,(H,31,34).
What are the key properties of 7-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)heptanamide?
7-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-1-phenylindol-2-yl)heptanamide has a molecular weight of 479.58 g/mol, XLogP of 6.12, 9 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-(3-methyl-1-phenylindol-2-yl)heptanamide is sourced from PubChem (CID 3071684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).