(Z)-N-(9-ethylcarbazol-3-yl)octadec-9-enamide

C32H46N2O — CID 6437750

IUPAC(Z)-N-(9-ethylcarbazol-3-yl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C32H46N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32(35)33-27-24-25-31-29(26-27)28-21-19-20-22-30(28)34(31)4-2/h11-12,19-22,24-26H,3-10,13-18,23H2,1-2H3,(H,33,35)/b12-11-
InChIKeyHJBKRORLQKPAFB-QXMHVHEDSA-N
MW474.73 g/mol
LogP9.79
Rot. Bonds17

About (Z)-N-(9-ethylcarbazol-3-yl)octadec-9-enamide

(Z)-N-(9-ethylcarbazol-3-yl)octadec-9-enamide (PubChem CID 6437750) has the molecular formula C32H46N2O and a molecular weight of 474.73 g/mol. Its IUPAC name is (Z)-N-(9-ethylcarbazol-3-yl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(9-ethylcarbazol-3-yl)octadec-9-enamide
PubChem CID6437750
Molecular FormulaC32H46N2O
Molecular Weight474.73 g/mol
Exact Mass474.36
IUPAC Name(Z)-N-(9-ethylcarbazol-3-yl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C32H46N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32(35)33-27-24-25-31-29(26-27)28-21-19-20-22-30(28)34(31)4-2/h11-12,19-22,24-26H,3-10,13-18,23H2,1-2H3,(H,33,35)/b12-11-
InChIKeyHJBKRORLQKPAFB-QXMHVHEDSA-N
XLogP9.79
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.73
LogP ≤ 59.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(9-ethylcarbazol-3-yl)octadec-9-enamide?
The IUPAC name of (Z)-N-(9-ethylcarbazol-3-yl)octadec-9-enamide (CID 6437750) is (Z)-N-(9-ethylcarbazol-3-yl)octadec-9-enamide.
What is the SMILES notation for (Z)-N-(9-ethylcarbazol-3-yl)octadec-9-enamide?
The canonical SMILES for (Z)-N-(9-ethylcarbazol-3-yl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of (Z)-N-(9-ethylcarbazol-3-yl)octadec-9-enamide?
The InChIKey is HJBKRORLQKPAFB-QXMHVHEDSA-N. The full InChI is InChI=1S/C32H46N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32(35)33-27-24-25-31-29(26-27)28-21-19-20-22-30(28)34(31)4-2/h11-12,19-22,24-26H,3-10,13-18,23H2,1-2H3,(H,33,35)/b12-11-.
What are the key properties of (Z)-N-(9-ethylcarbazol-3-yl)octadec-9-enamide?
(Z)-N-(9-ethylcarbazol-3-yl)octadec-9-enamide has a molecular weight of 474.73 g/mol, XLogP of 9.79, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(9-ethylcarbazol-3-yl)octadec-9-enamide is sourced from PubChem (CID 6437750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).