(9-ethylcarbazol-2-yl) acetate;N-ethylethanamine

C20H26N2O2 — CID 89346724

IUPAC(9-ethylcarbazol-2-yl) acetate;N-ethylethanamine
SMILESCCNCC.CCn1c2ccccc2c2ccc(OC(C)=O)cc21
InChIInChI=1S/C16H15NO2.C4H11N/c1-3-17-15-7-5-4-6-13(15)14-9-8-12(10-16(14)17)19-11(2)18;1-3-5-4-2/h4-10H,3H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyFXQLIRDIQWJOOG-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.36
Rot. Bonds4

About (9-ethylcarbazol-2-yl) acetate;N-ethylethanamine

(9-ethylcarbazol-2-yl) acetate;N-ethylethanamine (PubChem CID 89346724) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (9-ethylcarbazol-2-yl) acetate;N-ethylethanamine.

Molecular Properties

Compound Name(9-ethylcarbazol-2-yl) acetate;N-ethylethanamine
PubChem CID89346724
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(9-ethylcarbazol-2-yl) acetate;N-ethylethanamine
SMILESCCNCC.CCn1c2ccccc2c2ccc(OC(C)=O)cc21
InChIInChI=1S/C16H15NO2.C4H11N/c1-3-17-15-7-5-4-6-13(15)14-9-8-12(10-16(14)17)19-11(2)18;1-3-5-4-2/h4-10H,3H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyFXQLIRDIQWJOOG-UHFFFAOYSA-N
XLogP4.36
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(9-hexylcarbazol-2-yl) benzene-1,4-dicarboxylate
CID 175601220
triphenylen-2-yl acetate;hydrochloride
CID 142787711
(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 55394225
phenyl N-(9-ethylcarbazol-3-yl)carbamate
CID 2182675
9-ethyl-2-methylcarbazole
CID 19788789
9-ethylcarbazole-2,3-dicarbaldehyde
CID 174480322
acetic acid;9-ethylcarbazol-3-amine
CID 68649355
9-ethylcarbazole-3-carboxylic acid
CID 4912869
[4-(5-acetyloxy-3-chloro-1-ethylindol-2-yl)phenyl] acetate
CID 10022132
[4-[(9-methylcarbazol-3-yl)carbamoylamino]phenyl] acetate
CID 144925706
9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole
CID 141303114
(2R)-N-(9-ethylcarbazol-3-yl)-2-(4-methylphenoxy)propanamide
CID 1019882

Frequently Asked Questions

What is the IUPAC name of (9-ethylcarbazol-2-yl) acetate;N-ethylethanamine?
The IUPAC name of (9-ethylcarbazol-2-yl) acetate;N-ethylethanamine (CID 89346724) is (9-ethylcarbazol-2-yl) acetate;N-ethylethanamine.
What is the SMILES notation for (9-ethylcarbazol-2-yl) acetate;N-ethylethanamine?
The canonical SMILES for (9-ethylcarbazol-2-yl) acetate;N-ethylethanamine is CCNCC.CCn1c2ccccc2c2ccc(OC(C)=O)cc21.
What is the InChIKey of (9-ethylcarbazol-2-yl) acetate;N-ethylethanamine?
The InChIKey is FXQLIRDIQWJOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2.C4H11N/c1-3-17-15-7-5-4-6-13(15)14-9-8-12(10-16(14)17)19-11(2)18;1-3-5-4-2/h4-10H,3H2,1-2H3;5H,3-4H2,1-2H3.
What are the key properties of (9-ethylcarbazol-2-yl) acetate;N-ethylethanamine?
(9-ethylcarbazol-2-yl) acetate;N-ethylethanamine has a molecular weight of 326.44 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethylcarbazol-2-yl) acetate;N-ethylethanamine is sourced from PubChem (CID 89346724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).