(2S)-2-(2-methyl-5-propan-2-ylphenoxy)-N-[[(Z)-3-phenylprop-2-enylidene]amino]propanamide

C22H26N2O2 — CID 129437604

IUPAC(2S)-2-(2-methyl-5-propan-2-ylphenoxy)-N-[[(Z)-3-phenylprop-2-enylidene]amino]propanamide
SMILESCc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NN=C/C=C\c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-16(2)20-13-12-17(3)21(15-20)26-18(4)22(25)24-23-14-8-11-19-9-6-5-7-10-19/h5-16,18H,1-4H3,(H,24,25)/b11-8-,23-14?/t18-/m0/s1
InChIKeyAQQGOAORLDQBOZ-SEUXIZLBSA-N
MW350.46 g/mol
LogP4.70
Rot. Bonds7

About (2S)-2-(2-methyl-5-propan-2-ylphenoxy)-N-[[(Z)-3-phenylprop-2-enylidene]amino]propanamide

(2S)-2-(2-methyl-5-propan-2-ylphenoxy)-N-[[(Z)-3-phenylprop-2-enylidene]amino]propanamide (PubChem CID 129437604) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (2S)-2-(2-methyl-5-propan-2-ylphenoxy)-N-[[(Z)-3-phenylprop-2-enylidene]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-methyl-5-propan-2-ylphenoxy)-N-[[(Z)-3-phenylprop-2-enylidene]amino]propanamide
PubChem CID129437604
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(2S)-2-(2-methyl-5-propan-2-ylphenoxy)-N-[[(Z)-3-phenylprop-2-enylidene]amino]propanamide
SMILESCc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NN=C/C=C\c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-16(2)20-13-12-17(3)21(15-20)26-18(4)22(25)24-23-14-8-11-19-9-6-5-7-10-19/h5-16,18H,1-4H3,(H,24,25)/b11-8-,23-14?/t18-/m0/s1
InChIKeyAQQGOAORLDQBOZ-SEUXIZLBSA-N
XLogP4.70
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methyl-5-propan-2-ylphenoxy)-N-[[(Z)-3-phenylprop-2-enylidene]amino]propanamide?
The IUPAC name of (2S)-2-(2-methyl-5-propan-2-ylphenoxy)-N-[[(Z)-3-phenylprop-2-enylidene]amino]propanamide (CID 129437604) is (2S)-2-(2-methyl-5-propan-2-ylphenoxy)-N-[[(Z)-3-phenylprop-2-enylidene]amino]propanamide.
What is the SMILES notation for (2S)-2-(2-methyl-5-propan-2-ylphenoxy)-N-[[(Z)-3-phenylprop-2-enylidene]amino]propanamide?
The canonical SMILES for (2S)-2-(2-methyl-5-propan-2-ylphenoxy)-N-[[(Z)-3-phenylprop-2-enylidene]amino]propanamide is Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NN=C/C=C\c1ccccc1.
What is the InChIKey of (2S)-2-(2-methyl-5-propan-2-ylphenoxy)-N-[[(Z)-3-phenylprop-2-enylidene]amino]propanamide?
The InChIKey is AQQGOAORLDQBOZ-SEUXIZLBSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16(2)20-13-12-17(3)21(15-20)26-18(4)22(25)24-23-14-8-11-19-9-6-5-7-10-19/h5-16,18H,1-4H3,(H,24,25)/b11-8-,23-14?/t18-/m0/s1.
What are the key properties of (2S)-2-(2-methyl-5-propan-2-ylphenoxy)-N-[[(Z)-3-phenylprop-2-enylidene]amino]propanamide?
(2S)-2-(2-methyl-5-propan-2-ylphenoxy)-N-[[(Z)-3-phenylprop-2-enylidene]amino]propanamide has a molecular weight of 350.46 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methyl-5-propan-2-ylphenoxy)-N-[[(Z)-3-phenylprop-2-enylidene]amino]propanamide is sourced from PubChem (CID 129437604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).