(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide

C19H20N2O — CID 55394225

IUPAC(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
SMILESCCNC(=O)/C=C/c1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C19H20N2O/c1-3-20-19(22)12-10-14-9-11-18-16(13-14)15-7-5-6-8-17(15)21(18)4-2/h5-13H,3-4H2,1-2H3,(H,20,22)/b12-10+
InChIKeyRTPHPYLUAGROCQ-ZRDIBKRKSA-N
MW292.38 g/mol
LogP3.96
Rot. Bonds4

About (E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide

(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide (PubChem CID 55394225) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
PubChem CID55394225
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
SMILESCCNC(=O)/C=C/c1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C19H20N2O/c1-3-20-19(22)12-10-14-9-11-18-16(13-14)15-7-5-6-8-17(15)21(18)4-2/h5-13H,3-4H2,1-2H3,(H,20,22)/b12-10+
InChIKeyRTPHPYLUAGROCQ-ZRDIBKRKSA-N
XLogP3.96
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide (CID 55394225) is (E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide is CCNC(=O)/C=C/c1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of (E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide?
The InChIKey is RTPHPYLUAGROCQ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H20N2O/c1-3-20-19(22)12-10-14-9-11-18-16(13-14)15-7-5-6-8-17(15)21(18)4-2/h5-13H,3-4H2,1-2H3,(H,20,22)/b12-10+.
What are the key properties of (E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide?
(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide has a molecular weight of 292.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide is sourced from PubChem (CID 55394225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).