N-(9-butyl-3-formylcarbazol-2-yl)acetamide

C19H20N2O2 — CID 102433142

IUPACN-(9-butyl-3-formylcarbazol-2-yl)acetamide
SMILESCCCCn1c2ccccc2c2cc(C=O)c(NC(C)=O)cc21
InChIInChI=1S/C19H20N2O2/c1-3-4-9-21-18-8-6-5-7-15(18)16-10-14(12-22)17(11-19(16)21)20-13(2)23/h5-8,10-12H,3-4,9H2,1-2H3,(H,20,23)
InChIKeyDQOYZFVLDFJCRW-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.37
Rot. Bonds5

About N-(9-butyl-3-formylcarbazol-2-yl)acetamide

N-(9-butyl-3-formylcarbazol-2-yl)acetamide (PubChem CID 102433142) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(9-butyl-3-formylcarbazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(9-butyl-3-formylcarbazol-2-yl)acetamide
PubChem CID102433142
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(9-butyl-3-formylcarbazol-2-yl)acetamide
SMILESCCCCn1c2ccccc2c2cc(C=O)c(NC(C)=O)cc21
InChIInChI=1S/C19H20N2O2/c1-3-4-9-21-18-8-6-5-7-15(18)16-10-14(12-22)17(11-19(16)21)20-13(2)23/h5-8,10-12H,3-4,9H2,1-2H3,(H,20,23)
InChIKeyDQOYZFVLDFJCRW-UHFFFAOYSA-N
XLogP4.37
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(3-formyl-9-octylcarbazol-2-yl)oxyacetate
CID 56662734
9-octylcarbazole-2-carbaldehyde
CID 71623415
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
9-ethylcarbazole-2,3-dicarbaldehyde
CID 174480322
9-hexyl-2,7-bis[(E)-2-(9-hexylcarbazol-2-yl)ethenyl]carbazole
CID 58937439
benzene;9-octylcarbazole
CID 175067369
9-butylcarbazol-3-ol
CID 140908966
9-ethyl-6-[2-(9-heptylcarbazol-3-yl)ethenyl]carbazole-3-carbaldehyde
CID 172869489
(9-pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
1,4-bis(9-butylcarbazol-3-yl)-2,3-dihydroxybutane-1,4-dione
CID 19982347
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781

Frequently Asked Questions

What is the IUPAC name of N-(9-butyl-3-formylcarbazol-2-yl)acetamide?
The IUPAC name of N-(9-butyl-3-formylcarbazol-2-yl)acetamide (CID 102433142) is N-(9-butyl-3-formylcarbazol-2-yl)acetamide.
What is the SMILES notation for N-(9-butyl-3-formylcarbazol-2-yl)acetamide?
The canonical SMILES for N-(9-butyl-3-formylcarbazol-2-yl)acetamide is CCCCn1c2ccccc2c2cc(C=O)c(NC(C)=O)cc21.
What is the InChIKey of N-(9-butyl-3-formylcarbazol-2-yl)acetamide?
The InChIKey is DQOYZFVLDFJCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-4-9-21-18-8-6-5-7-15(18)16-10-14(12-22)17(11-19(16)21)20-13(2)23/h5-8,10-12H,3-4,9H2,1-2H3,(H,20,23).
What are the key properties of N-(9-butyl-3-formylcarbazol-2-yl)acetamide?
N-(9-butyl-3-formylcarbazol-2-yl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-butyl-3-formylcarbazol-2-yl)acetamide is sourced from PubChem (CID 102433142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).