N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide

C32H29N3O2 — CID 22330387

IUPACN-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCCn3c4ccccc4c(=O)c4cc(C)ccc43)ccc21
InChIInChI=1S/C32H29N3O2/c1-3-34-27-11-6-4-9-23(27)25-20-22(15-17-29(25)34)33-31(36)13-8-18-35-28-12-7-5-10-24(28)32(37)26-19-21(2)14-16-30(26)35/h4-7,9-12,14-17,19-20H,3,8,13,18H2,1-2H3,(H,33,36)
InChIKeyCDKUDXOLPBFSGN-UHFFFAOYSA-N
MW487.60 g/mol
LogP7.01
Rot. Bonds6

About N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide

N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide (PubChem CID 22330387) has the molecular formula C32H29N3O2 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
PubChem CID22330387
Molecular FormulaC32H29N3O2
Molecular Weight487.60 g/mol
Exact Mass487.23
IUPAC NameN-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCCn3c4ccccc4c(=O)c4cc(C)ccc43)ccc21
InChIInChI=1S/C32H29N3O2/c1-3-34-27-11-6-4-9-23(27)25-20-22(15-17-29(25)34)33-31(36)13-8-18-35-28-12-7-5-10-24(28)32(37)26-19-21(2)14-16-30(26)35/h4-7,9-12,14-17,19-20H,3,8,13,18H2,1-2H3,(H,33,36)
InChIKeyCDKUDXOLPBFSGN-UHFFFAOYSA-N
XLogP7.01
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
N-(5-bromo-2-pyridinyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
CID 15994058
N-(2,4-dimethoxyphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
CID 22330317
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide
CID 15998549
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole
CID 58771349
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
CID 90300485
6-(12-ethyl-7,14-dioxoquinolino[2,3-b]acridin-5-yl)hexanoic acid
CID 67024047
N-(9-ethylcarbazol-3-yl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 46651797

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide (CID 22330387) is N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide is CCn1c2ccccc2c2cc(NC(=O)CCCn3c4ccccc4c(=O)c4cc(C)ccc43)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide?
The InChIKey is CDKUDXOLPBFSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O2/c1-3-34-27-11-6-4-9-23(27)25-20-22(15-17-29(25)34)33-31(36)13-8-18-35-28-12-7-5-10-24(28)32(37)26-19-21(2)14-16-30(26)35/h4-7,9-12,14-17,19-20H,3,8,13,18H2,1-2H3,(H,33,36).
What are the key properties of N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide?
N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide has a molecular weight of 487.60 g/mol, XLogP of 7.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide is sourced from PubChem (CID 22330387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).