4-(2-oxobenzo[cd]indol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide

C25H24N2O2 — CID 133145406

IUPAC4-(2-oxobenzo[cd]indol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
SMILESO=C(CCCN1C(=O)c2cccc3cccc1c23)NC1CCCc2ccccc21
InChIInChI=1S/C25H24N2O2/c28-23(26-21-13-4-8-17-7-1-2-11-19(17)21)15-6-16-27-22-14-5-10-18-9-3-12-20(24(18)22)25(27)29/h1-3,5,7,9-12,14,21H,4,6,8,13,15-16H2,(H,26,28)
InChIKeyMDRMOVVWSKTEET-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.77
Rot. Bonds5

About 4-(2-oxobenzo[cd]indol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide

4-(2-oxobenzo[cd]indol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide (PubChem CID 133145406) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-(2-oxobenzo[cd]indol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide.

Molecular Properties

Compound Name4-(2-oxobenzo[cd]indol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
PubChem CID133145406
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name4-(2-oxobenzo[cd]indol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
SMILESO=C(CCCN1C(=O)c2cccc3cccc1c23)NC1CCCc2ccccc21
InChIInChI=1S/C25H24N2O2/c28-23(26-21-13-4-8-17-7-1-2-11-19(17)21)15-6-16-27-22-14-5-10-18-9-3-12-20(24(18)22)25(27)29/h1-3,5,7,9-12,14,21H,4,6,8,13,15-16H2,(H,26,28)
InChIKeyMDRMOVVWSKTEET-UHFFFAOYSA-N
XLogP4.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-oxobenzo[cd]indol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide with MolForge

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Related Compounds

2-(2-oxobenzo[cd]indol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7894058
3-phenothiazin-10-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2338826
4-pyrazol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 94821272
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 103601650
4-(2-oxobenzo[cd]indol-1-yl)butanoic acid
CID 24689476
1-(4-hydroxybutyl)benzo[cd]indol-2-one
CID 43509847
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 2477104
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
CID 129376627
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7819453

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxobenzo[cd]indol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The IUPAC name of 4-(2-oxobenzo[cd]indol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide (CID 133145406) is 4-(2-oxobenzo[cd]indol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide.
What is the SMILES notation for 4-(2-oxobenzo[cd]indol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The canonical SMILES for 4-(2-oxobenzo[cd]indol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide is O=C(CCCN1C(=O)c2cccc3cccc1c23)NC1CCCc2ccccc21.
What is the InChIKey of 4-(2-oxobenzo[cd]indol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The InChIKey is MDRMOVVWSKTEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c28-23(26-21-13-4-8-17-7-1-2-11-19(17)21)15-6-16-27-22-14-5-10-18-9-3-12-20(24(18)22)25(27)29/h1-3,5,7,9-12,14,21H,4,6,8,13,15-16H2,(H,26,28).
What are the key properties of 4-(2-oxobenzo[cd]indol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
4-(2-oxobenzo[cd]indol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide has a molecular weight of 384.48 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxobenzo[cd]indol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide is sourced from PubChem (CID 133145406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).