(Z)-N-cyclopropyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methoxyprop-2-enamide

C23H24N2O2 — CID 59031313

IUPAC(Z)-N-cyclopropyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methoxyprop-2-enamide
SMILESCO/C(=C\c1cc(C)c(-c2ccc3[nH]ccc3c2)cc1C)C(=O)NC1CC1
InChIInChI=1S/C23H24N2O2/c1-14-11-20(16-4-7-21-17(12-16)8-9-24-21)15(2)10-18(14)13-22(27-3)23(26)25-19-5-6-19/h4,7-13,19,24H,5-6H2,1-3H3,(H,25,26)/b22-13-
InChIKeyOHLXQGBJXYSTCA-XKZIYDEJSA-N
MW360.46 g/mol
LogP4.72
Rot. Bonds5

About (Z)-N-cyclopropyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methoxyprop-2-enamide

(Z)-N-cyclopropyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methoxyprop-2-enamide (PubChem CID 59031313) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (Z)-N-cyclopropyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methoxyprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-cyclopropyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methoxyprop-2-enamide
PubChem CID59031313
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name(Z)-N-cyclopropyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methoxyprop-2-enamide
SMILESCO/C(=C\c1cc(C)c(-c2ccc3[nH]ccc3c2)cc1C)C(=O)NC1CC1
InChIInChI=1S/C23H24N2O2/c1-14-11-20(16-4-7-21-17(12-16)8-9-24-21)15(2)10-18(14)13-22(27-3)23(26)25-19-5-6-19/h4,7-13,19,24H,5-6H2,1-3H3,(H,25,26)/b22-13-
InChIKeyOHLXQGBJXYSTCA-XKZIYDEJSA-N
XLogP4.72
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-cyclopropyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methoxyprop-2-enamide?
The IUPAC name of (Z)-N-cyclopropyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methoxyprop-2-enamide (CID 59031313) is (Z)-N-cyclopropyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methoxyprop-2-enamide.
What is the SMILES notation for (Z)-N-cyclopropyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methoxyprop-2-enamide?
The canonical SMILES for (Z)-N-cyclopropyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methoxyprop-2-enamide is CO/C(=C\c1cc(C)c(-c2ccc3[nH]ccc3c2)cc1C)C(=O)NC1CC1.
What is the InChIKey of (Z)-N-cyclopropyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methoxyprop-2-enamide?
The InChIKey is OHLXQGBJXYSTCA-XKZIYDEJSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-14-11-20(16-4-7-21-17(12-16)8-9-24-21)15(2)10-18(14)13-22(27-3)23(26)25-19-5-6-19/h4,7-13,19,24H,5-6H2,1-3H3,(H,25,26)/b22-13-.
What are the key properties of (Z)-N-cyclopropyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methoxyprop-2-enamide?
(Z)-N-cyclopropyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methoxyprop-2-enamide has a molecular weight of 360.46 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-cyclopropyl-3-[4-(1H-indol-5-yl)-2,5-dimethylphenyl]-2-methoxyprop-2-enamide is sourced from PubChem (CID 59031313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).