N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide

C25H26N2O3 — CID 4155639

IUPACN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccc3c4c(cccc24)C(=O)N3CC)cc1
InChIInChI=1S/C25H26N2O3/c1-3-5-6-16-30-18-12-10-17(11-13-18)24(28)26-21-14-15-22-23-19(21)8-7-9-20(23)25(29)27(22)4-2/h7-15H,3-6,16H2,1-2H3,(H,26,28)
InChIKeyUCEFZADXHCGVKL-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.64
Rot. Bonds8

About N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide (PubChem CID 4155639) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide
PubChem CID4155639
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccc3c4c(cccc24)C(=O)N3CC)cc1
InChIInChI=1S/C25H26N2O3/c1-3-5-6-16-30-18-12-10-17(11-13-18)24(28)26-21-14-15-22-23-19(21)8-7-9-20(23)25(29)27(22)4-2/h7-15H,3-6,16H2,1-2H3,(H,26,28)
InChIKeyUCEFZADXHCGVKL-UHFFFAOYSA-N
XLogP5.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide 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

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide
CID 3998958
4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 3290648
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide
CID 681581
4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 4208820
4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 41363936
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
4-[bis(2-methylpropyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 4062998
1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea
CID 1068830
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide
CID 7565002
4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide
CID 4939588
N-(4-cyano-7-oxocyclohepta-1,3,5-trien-1-yl)-4-tetradecoxybenzamide
CID 101164201
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-5-nitrothiophene-2-carboxamide
CID 2315989

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide?
The IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide (CID 4155639) is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide.
What is the SMILES notation for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide?
The canonical SMILES for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)Nc2ccc3c4c(cccc24)C(=O)N3CC)cc1.
What is the InChIKey of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide?
The InChIKey is UCEFZADXHCGVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-5-6-16-30-18-12-10-17(11-13-18)24(28)26-21-14-15-22-23-19(21)8-7-9-20(23)25(29)27(22)4-2/h7-15H,3-6,16H2,1-2H3,(H,26,28).
What are the key properties of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide?
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide has a molecular weight of 402.49 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide is sourced from PubChem (CID 4155639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).