ethane;2-(2-ethyl-5-methoxyanilino)-N-(1-phenylcyclopropyl)prop-2-enamide

C23H30N2O2 — CID 144935870

IUPACethane;2-(2-ethyl-5-methoxyanilino)-N-(1-phenylcyclopropyl)prop-2-enamide
SMILESC=C(Nc1cc(OC)ccc1CC)C(=O)NC1(c2ccccc2)CC1.CC
InChIInChI=1S/C21H24N2O2.C2H6/c1-4-16-10-11-18(25-3)14-19(16)22-15(2)20(24)23-21(12-13-21)17-8-6-5-7-9-17;1-2/h5-11,14,22H,2,4,12-13H2,1,3H3,(H,23,24);1-2H3
InChIKeyWKMGQGPGAVEGDH-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.01
Rot. Bonds7

About ethane;2-(2-ethyl-5-methoxyanilino)-N-(1-phenylcyclopropyl)prop-2-enamide

ethane;2-(2-ethyl-5-methoxyanilino)-N-(1-phenylcyclopropyl)prop-2-enamide (PubChem CID 144935870) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is ethane;2-(2-ethyl-5-methoxyanilino)-N-(1-phenylcyclopropyl)prop-2-enamide.

Molecular Properties

Compound Nameethane;2-(2-ethyl-5-methoxyanilino)-N-(1-phenylcyclopropyl)prop-2-enamide
PubChem CID144935870
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Nameethane;2-(2-ethyl-5-methoxyanilino)-N-(1-phenylcyclopropyl)prop-2-enamide
SMILESC=C(Nc1cc(OC)ccc1CC)C(=O)NC1(c2ccccc2)CC1.CC
InChIInChI=1S/C21H24N2O2.C2H6/c1-4-16-10-11-18(25-3)14-19(16)22-15(2)20(24)23-21(12-13-21)17-8-6-5-7-9-17;1-2/h5-11,14,22H,2,4,12-13H2,1,3H3,(H,23,24);1-2H3
InChIKeyWKMGQGPGAVEGDH-UHFFFAOYSA-N
XLogP5.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 ethane;2-(2-ethyl-5-methoxyanilino)-N-(1-phenylcyclopropyl)prop-2-enamide?
The IUPAC name of ethane;2-(2-ethyl-5-methoxyanilino)-N-(1-phenylcyclopropyl)prop-2-enamide (CID 144935870) is ethane;2-(2-ethyl-5-methoxyanilino)-N-(1-phenylcyclopropyl)prop-2-enamide.
What is the SMILES notation for ethane;2-(2-ethyl-5-methoxyanilino)-N-(1-phenylcyclopropyl)prop-2-enamide?
The canonical SMILES for ethane;2-(2-ethyl-5-methoxyanilino)-N-(1-phenylcyclopropyl)prop-2-enamide is C=C(Nc1cc(OC)ccc1CC)C(=O)NC1(c2ccccc2)CC1.CC.
What is the InChIKey of ethane;2-(2-ethyl-5-methoxyanilino)-N-(1-phenylcyclopropyl)prop-2-enamide?
The InChIKey is WKMGQGPGAVEGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2.C2H6/c1-4-16-10-11-18(25-3)14-19(16)22-15(2)20(24)23-21(12-13-21)17-8-6-5-7-9-17;1-2/h5-11,14,22H,2,4,12-13H2,1,3H3,(H,23,24);1-2H3.
What are the key properties of ethane;2-(2-ethyl-5-methoxyanilino)-N-(1-phenylcyclopropyl)prop-2-enamide?
ethane;2-(2-ethyl-5-methoxyanilino)-N-(1-phenylcyclopropyl)prop-2-enamide has a molecular weight of 366.51 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-ethyl-5-methoxyanilino)-N-(1-phenylcyclopropyl)prop-2-enamide is sourced from PubChem (CID 144935870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).